Chem
J-GLOBAL ID：200907002458995160
Nikkaji number：J1.435.239B
4,4′-[10,20-Bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5,15-diyl]bis(benzoic acid chloride)
4,4′-[10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5,15-ジイル]ビス(安息香酸クロリド)
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C62H60Cl2N4O2
Molecular formula furigana： C62-H60-CL2-N4-O2
Molecular weight： 964.090
InChI：
InChI=1S/C62H60Cl2N4O2/c1-59(2,3)41-29-39(30-42(33-41)60(4,5)6)55-49-25-21-45(65-49)53(35-13-17-37(18-14-35)57(63)69)47-23-27-51(67-47)56(40-31-43(61(7,8)9)34-44(32-40)62(10,11)12)52-28-24-48(68-52)54(46-22-26-50(55)66-46)36-15-19-38(20-16-36)58(64)70/h13-34,65,68H,1-12H3/b53-45-,53-47-,54-46-,54-48-,55-49-,55-50-,56-51-,56-52-
InChI key：
FWNLHZHGFLBJTA-CXZQUEIZSA-N
SMILES：
CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(cc1)C(=O)Cl)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1ccc(cc1)C(=O)Cl)/[nH]2
Systematic name (1)：
- 4,4′-[10,20-ビス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン-5,15-ジイル]ビス(安息香酸クロリド)
- 4,4′-[10,20-Bis(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5,15-diyl]bis(benzoic acid chloride)
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