zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: zinc 15-octa-1,7-diynyl-10,20-diphenyl-21,22-dihydroporphine Formula: C40H30N4Zn+2 MolecularWeight: 632.102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCC#CC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7.[Zn+2]

Isomeric SMILES

C#CCCCCC#CC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7.[Zn+2]

InChI

InChI=1S/C40H30N4.Zn/c1-2-3-4-5-6-13-18-32-33-23-25-37(43-33)39(28-14-9-7-10-15-28)35-21-19-30(41-35)27-31-20-22-36(42-31)40(29-16-11-8-12-17-29)38-26-24-34(32)44-38;/h1,7-12,14-17,19-27,41-42H,3-6H2;/q;+2