10,10'-(5-(6-(1,1'-Biphenyl)-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene)bis(9,10-dihydro-9,9-dimethyl-acridine)
기본 정보
- CAS
1836192-40-5- 표준 SMILES
CC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21- InChIKey
WRYLWWIBKYOEDI-UHFFFAOYSA-N- 분자식
- C58H46N4
- 평균 분자량
- 799 g/mol
- 단동위원소 질량
- 798.37224748
이름 및 식별자
- 우선 이름
- 10,10'-(5-(6-(1,1'-Biphenyl)-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene)bis(9,10-dihydro-9,9-dimethyl-acridine)
- IUPAC
- 10-[3-(9,9-dimethylacridin-10-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylacridine
- 영어명
- Acridine, 10,10'-[5-(6-[1,1'-biphenyl]-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene]bis[9,10-dihydro-9,9-dimethyl-
- 분자식
- C58H46N4
- 분자량
- 799.01
이름 및 동의어
1836192-40-510,10'-(5-(6-(1,1'-Biphenyl)-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene)bis(9,10-dihydro-9,9-dimethyl-acridine)10,10'-[5-(6-[1,1'-biphenyl]-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene]bis[9,10-dihydro-9,9-dimethyl-acridine]RefChem:436917890-434-410,10'-(5-(6-([1,1'-Biphenyl]-4-yl)-2-phenylpyrimidin-4-yl)-1,3-phenylene)bis(9,9-dimethyl-9,10-dihydroacridine)SCHEMBL25799665SCHEMBL30589479CS-0378775TCNE04DMAC-BPP10,10′-[5-(6-[1,1′-Biphenyl]-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene]bis[9,10-dihydro-9,9-dimethylacridine]
이름 더 보기
Acridine, 10,10'-[5-(6-[1,1'-biphenyl]-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene]bis[9,10-dihydro-9,9-dimethyl-
물성
구조 계산 물성
- XLogP
- 15
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,330
물리화학적 성질
- 밀도
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- 물리적 상태
- powder/crystals
- 산도 계수 (pKa)
- -0.11 · -0.11±0.50(Predicted)
- 색상
- Light yellow
- Fluorescene
- 496 nm · λem496 nm
- Absorption
- 282 nm · λmax282 nm
- 녹는점
- 220 °C · Tg= 220°C (lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
응용 분야
개요DMAC-BPP, namely10,10′‐[5‐(6‐[1,1′‐biphenyl]‐4‐yl‐2‐phenyl‐4‐pyrimidinyl)‐1,3‐phenylene]bis[9,10‐dihydro‐9,9‐dimethyl‐acridine], has a structure containing two acridines units bridged by a phenyl with a phenylbiphenylpyrimidine, each at the meta positions.
관련 반응
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