zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diid-5-yl]-2,6-dimethyl-aniline

Systemtic Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diid-5-yl]-2,6-dimethyl-aniline Openeye Name: zinc 4-[15-[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-bis(p-tolyl)porphyrin-22,24-diid-5-yl]-2,6-dimethyl-aniline CAS Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]-5-porphyrin-22,24-diidyl]-2,6-dimethylaniline IUPAC Name: zinc 4-[10,20-bis(4-methylphenyl)-15-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diid-5-yl]-2,6-dimethylaniline Traditional Name: zinc [4-[15-[4-(1,1-diallylbut-3-enyl)phenyl]-10,20-bis(p-tolyl)porphine-22,24-diid-5-yl]-2,6-dimethyl-phenyl]amine Formula: C58H51N5Zn MolecularWeight: 883.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=C(C(=C7)C)N)C)C8=CC=C(C=C8)C)C=C4)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=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=C(C(=C7)C)N)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]

InChI

InChI=1S/C58H51N5.Zn/c1-8-31-58(32-9-2,33-10-3)44-21-19-42(20-22-44)55-49-25-23-45(60-49)53(40-15-11-36(4)12-16-40)47-27-29-51(62-47)56(43-34-38(6)57(59)39(7)35-43)52-30-28-48(63-52)54(46-24-26-50(55)61-46)41-17-13-37(5)14-18-41;/h8-30,34-35H,1-3,31-33,59H2,4-7H3;/q-2;+2