基本情報
- CAS
21016-19-3- 標準SMILES
CC1CC(C=CC=CC=C2CC(C)Cc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C2OC(c3ccccc3)=CC(c3ccccc3)=C2C1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
XOVPRRKXGIHBEJ-UHFFFAOYSA-M- 分子式
- C49H43ClO6
- 平均分子量
- 763.3 g/mol
- 単同位体質量
- 762.2748168
名称と識別子
- 優先名称
- Einecs 244-147-0
- IUPAC
- 6-methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene perchlorate
名称と別名
EINECS 244-147-0DTXSID808851551-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1)1-Benzopyrylium, 8-(5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadienylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1)1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorateRefChem:590665DTXCID90102455321016-19-38-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorate8-(5-(6,7-Dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene)-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorateSCHEMBL8038191
名称をさらに表示
XOVPRRKXGIHBEJ-UHFFFAOYSA-MDB-242952NS000521556-Methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-1-benzopyran-8-yl)penta-2,4-dien-1-ylidene]-2,4-diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium perchlorate
物性
構造計算による物性
- 極性表面積
- 84.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 7
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 1,360
実験および物理化学的性質
Chemical ClassesDyes -> Carbocyanine Dyes
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。
危険有害性情報
Hazards SummarySee Indocyanine green.
化学と産業
用途と製造
General Manufacturing Information1-Benzopyrylium, 8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)-2,4-pentadien-1-ylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-, perchlorate (1:1): ACTIVE
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