zinc 10,15,20-triphenyl-N,N-bis(prop-2-enyl)porphyrin-23,24-diid-5-amine

Systemtic Name: zinc 10,15,20-triphenyl-N,N-bis(prop-2-enyl)porphyrin-23,24-diid-5-amine Openeye Name: zinc N,N-diallyl-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine CAS Name: zinc 10,15,20-triphenyl-N,N-bis(prop-2-enyl)-5-porphyrin-23,24-diidamine IUPAC Name: zinc 10,15,20-triphenyl-N,N-bis(prop-2-enyl)porphyrin-23,24-diid-5-amine Traditional Name: zinc diallyl-(10,15,20-triphenylporphine-23,24-diid-5-yl)amine Formula: C44H33N5Zn MolecularWeight: 697.17532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)[N-]3)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

C=CCN(CC=C)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)C7=CC=CC=C7)[N-]3)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C44H33N5.Zn/c1-3-28-49(29-4-2)44-39-26-24-37(47-39)42(31-16-10-6-11-17-31)35-22-20-33(45-35)41(30-14-8-5-9-15-30)34-21-23-36(46-34)43(32-18-12-7-13-19-32)38-25-27-40(44)48-38;/h3-27H,1-2,28-29H2;/q-2;+2