zinc N,N-diethyl-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine

Systemtic Name: zinc N,N-diethyl-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine Openeye Name: zinc N,N-diethyl-10,15,20-triphenyl-porphyrin-23,24-diid-5-amine CAS Name: zinc N,N-diethyl-10,15,20-triphenyl-5-porphyrin-23,24-diidamine IUPAC Name: zinc N,N-diethyl-10,15,20-triphenylporphyrin-23,24-diid-5-amine Traditional Name: zinc diethyl-(10,15,20-triphenylporphine-23,24-diid-5-yl)amine Formula: C42H33N5Zn MolecularWeight: 673.15392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)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

CCN(CC)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/C42H33N5.Zn/c1-3-47(4-2)42-37-26-24-35(45-37)40(29-16-10-6-11-17-29)33-22-20-31(43-33)39(28-14-8-5-9-15-28)32-21-23-34(44-32)41(30-18-12-7-13-19-30)36-25-27-38(42)46-36;/h5-27H,3-4H2,1-2H3;/q-2;+2