Chem
J-GLOBAL ID：200907051974393380
Nikkaji number：J1.735.900B
10,10′:20′,10′′-Ter[5,15-diphenyl-21H,23H-porphyrin]
10,10′:20′,10′′-テル[5,15-ジフェニル-21H,23H-ポルフィリン]
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： C96H62N12
Molecular formula furigana： C96-H62-N12
Molecular weight： 1383.636
InChI：
InChI=1S/C96H62N12/c1-7-19-57(20-8-1)87-67-35-31-63(97-67)55-64-32-36-68(98-64)88(58-21-9-2-10-22-58)72-40-48-80(102-72)93(79-47-39-71(87)101-79)95-83-51-43-75(105-83)91(61-27-15-5-16-28-61)77-45-53-85(107-77)96(86-54-46-78(108-86)92(62-29-17-6-18-30-62)76-44-52-84(95)106-76)94-81-49-41-73(103-81)89(59-23-11-3-12-24-59)69-37-33-65(99-69)56-66-34-38-70(100-66)90(60-25-13-4-14-26-60)74-42-50-82(94)104-74/h1-56,97,99,102,104-105,108H/b63-55-,64-55-,65-56-,66-56-,87-67-,87-71-,88-68-,88-72-,89-69-,89-73-,90-70-,90-74-,91-75-,91-77-,92-76-,92-78-,93-79+,93-80+,94-81+,94-82+,95-83+,95-84+,96-85+,96-86+
InChI key：
ZZBLALYMBSHLQN-WNLBMKJSSA-N
SMILES：
C1=CC2=N/C/1=C\c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/2\c2ccccc2)/[nH]1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)[nH]4)/C/1=c/4\cc/c(=C(/C5=N/C(=C\c6ccc(/C(=C\7/C=CC1=N7)/c1ccccc1)[nH]6)/C=C5)\c1ccccc1)/[nH]4)/C=C3)\c1ccccc1)/[nH]2)/c1ccccc1
Systematic name (2)：
- 10,10′:20′,10′′-テル[5,15-ジフェニル-21H,23H-ポルフィリン]
- 5,15-ジフェニル-10,20-ビス(5,15-ジフェニル-21H,23H-ポルフィリン-10-イル)-21H,23H-ポルフィリン
- 5,15-Diphenyl-10,20-bis(5,15-diphenyl-21H,23H-porphyrin-10-yl)-21H,23H-porphyrin
- 10,10′:20′,10′′-Ter[5,15-diphenyl-21H,23H-porphyrin]
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