zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-23,24-diid-5-yl]benzenecarbonitrile

Systemtic Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-23,24-diid-5-yl]benzenecarbonitrile Openeye Name: zinc 4-[15-[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-bis(p-tolyl)porphyrin-23,24-diid-5-yl]benzonitrile CAS Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-5-porphyrin-23,24-diidyl]benzonitrile IUPAC Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-23,24-diid-5-yl]benzonitrile Traditional Name: zinc 4-[15-[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-bis(p-tolyl)porphine-23,24-diid-5-yl]benzonitrile Formula: C57H45N5Zn MolecularWeight: 865.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]

InChI

InChI=1S/C57H45N5.Zn/c1-6-33-57(34-7-2,35-8-3)44-23-21-43(22-24-44)56-51-31-27-47(61-51)53(40-15-9-37(4)10-16-40)45-25-29-49(59-45)55(42-19-13-39(36-58)14-20-42)50-30-26-46(60-50)54(48-28-32-52(56)62-48)41-17-11-38(5)12-18-41;/h6-32H,1-3,33-35H2,4-5H3;/q-2;+2