기본 정보
- CAS
68957-65-3- 표준 SMILES
Cc1cc(N=Nc2ccc3nc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7ccccc7)c(O)c6c5N)cc4)[nH]c3c2)c(N)cc1N- InChIKey
UBZPHAFAOGJMSN-UHFFFAOYSA-N- 분자식
- C36H29N11O7S2
- 평균 분자량
- 791.8 g/mol
- 단동위원소 질량
- 791.16928465
이름 및 식별자
- 우선 이름
- 4-Amino-3-(2-(4-(6-(2-(2,4-diamino-5-methylphenyl)diazenyl)-1H-benzimidazol-2-yl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-amino-3-[[4-[6-[(2,4-diamino-5-methylphenyl)diazenyl]-1H-benzimidazol-2-yl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
이름 및 동의어
68957-65-34-Amino-3-(2-(4-(6-(2-(2,4-diamino-5-methylphenyl)diazenyl)-1H-benzimidazol-2-yl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid4-Amino-3-[2-[4-[6-[2-(2,4-diamino-5-methylphenyl)diazenyl]-1H-benzimidazol-2-yl]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acidRefChem:2898942,7-Naphthalenedisulfonic acid, 4-amino-3-((4-(5-((2,4-diamino-5-methylphenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-5-hydroxy-6-(phenylazo)-2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[5-[(2,4-diamino-5-methylphenyl)azo]-1H-benzimidazol-2-yl]phenyl]azo]-5-hydroxy-6-(phenylazo)-DTXSID10719092,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-(6-(2-(2,4-diamino-5-methylphenyl)diazenyl)-1H-benzimidazol-2-yl)phenyl)diazenyl)-5-hydroxy-6-(2-phenyldiazenyl)-4-Amino-3-((4-(5-((2,4-diamino-5-methylphenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-5-hydroxy-6-(phenylazo)-2,7-naphthalenedisulfonic acid4-Amino-3-[(4-{6-[(2,4-diamino-5-methylphenyl)diazenyl]-1H-1,3-benzimidazol-2-yl}phenyl)diazenyl]-5-hydroxy-6-(phenyldiazenyl)naphthalene-2,7-disulfonic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 327 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,650
화학 및 산업
용도 및 제조
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[6-[2-(2,4-diamino-5-methylphenyl)diazenyl]-1H-benzimidazol-2-yl]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-: INACTIVE
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