10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-ethynylphenyl)-5,15-dimethyl-21,22-dihydroporphine Formula: C38H26N4 MolecularWeight: 538.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=C(C=C6)C#C)C=C4)C)C=C3)C7=CC=C(C=C7)C#C)N2

Isomeric SMILES

CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=C(C=C6)C#C)C=C4)C)C=C3)C7=CC=C(C=C7)C#C)N2

InChI

InChI=1S/C38H26N4/c1-5-25-7-11-27(12-8-25)37-33-19-15-29(39-33)23(3)31-17-21-35(41-31)38(28-13-9-26(6-2)10-14-28)36-22-18-32(42-36)24(4)30-16-20-34(37)40-30/h1-2,7-22,39,41H,3-4H3