zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]ethanenitrile

Systemtic Name: zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]ethanenitrile Openeye Name: zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]acetonitrile CAS Name: zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,23-diidyl]phenyl]acetonitrile IUPAC Name: zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]phenyl]acetonitrile Traditional Name: zinc 2-[4-[15-[4-(cyanomethyl)phenyl]-10,20-dimesityl-porphine-22,23-diid-5-yl]phenyl]acetonitrile Formula: C54H42N6Zn MolecularWeight: 840.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)CC#N)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)CC#N)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)CC#N)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)CC#N)[N-]3)C.[Zn+2]

InChI

InChI=1S/C54H42N6.Zn/c1-31-27-33(3)49(34(4)28-31)53-45-19-15-41(57-45)51(39-11-7-37(8-12-39)23-25-55)43-17-21-47(59-43)54(50-35(5)29-32(2)30-36(50)6)48-22-18-44(60-48)52(42-16-20-46(53)58-42)40-13-9-38(10-14-40)24-26-56;/h7-22,27-30H,23-24H2,1-6H3;/q-2;+2