15-butyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-butyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-butyl-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-butyl-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-butyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-butyl-10,20-diphenyl-21,22-dihydroporphine Formula: C36H30N4 MolecularWeight: 518.6502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7

InChI

InChI=1S/C36H30N4/c1-2-3-14-28-29-19-21-33(39-29)35(24-10-6-4-7-11-24)31-17-15-26(37-31)23-27-16-18-32(38-27)36(25-12-8-5-9-13-25)34-22-20-30(28)40-34/h4-13,15-23,37-38H,2-3,14H2,1H3