基本情報
- CAS
67075-37-0- 標準SMILES
O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O- InChIKey
IIKSFQIOFHBWSO-UHFFFAOYSA-N- 分子式
- C40H26N2O4
- 平均分子量
- 598.6 g/mol
- 単同位体質量
- 598.18925731
名称と識別子
- 優先名称
- Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
- IUPAC
- 7,18-bis(2-phenylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
- 現地名
- 2,9-ジフェネチルアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
- 英語名
- N,N'-Di(2-phenylethyl)-perylene-tetracarbonic acid, amide
- 分子式
- C40H26N2O4
- 分子量
- 598.65
名称と別名
67075-37-0Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-EINECS 266-564-7EC 266-564-72,9-Bis(2-phenylethyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneDTXSID60704852,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetroneAnthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-RefChem:558182DTXCID5044863266-564-7PEPTC
名称をさらに表示
2,9-ビス(フェネチル)アントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10(2H,9H)-テトラオンN,N'-ビス(2-フェニルエチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)2,9-ビス(フェネチル)-2,9-ジヒドロアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10-テトラオンN,N'-ビス(2-フェニルエチル)-3,4:9,10-ペリレンビスジカルボイミドN,N'-ジフェネチルペリレン-3,4:9,10-ビス(ジカルボイミド)2,9-ビスフェネチル-2,9-ジヒドロアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10-テトラオン2,9-ビスフェネチルアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1(2H),3,8(9H),10-テトラオン
物性
構造計算による物性
- XLogP
- 7.6
- 極性表面積
- 74.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,070
実験および物理化学的性質
Physical DescriptionCBI
物理化学的性質
- 融点
- 415 · 415-420°C
- 比重(密度)
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- -2.34 · -2.34±0.20(Predicted)
- 外見
- solid
- InChIKey
- IIKSFQIOFHBWSO-UHFFFAOYSA-N
- SMILES
- O=C1N(CCc2ccccc2)C(=O)c3ccc4c5ccc6C(=O)N(CCc7ccccc7)C(=O)c8ccc(c9ccc1c3c49)c5c68
- LogP
- 1.93 at · 1.93 at 20℃
- EPAの化学物質情報
- 2 · Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- (67075-37-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 99.1% (114 of 115) of all reports.
Not Classified
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 266-564-7)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 3
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Printing Ink Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-: ACTIVE
応用分野
使用Used as an n-type semiconducting material in organic and printed electronics.
一般的な説明1,3,8,10(2H,9H)-Tetraone, 2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline (PEPTC) is an n-type small molecular organic semiconducting material. They are most commonly used in organic thin film transistors (OTFT) and also in solution processed organic photovoltaic cells (OPV). They have a well-defined structure and do not show any molecular weight dependence, leading to high purity and ease of processability.
サプライヤー26 社
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
Aladdin Scientific[email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
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