5-butan-2-yl-15-hexyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-butan-2-yl-15-hexyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-hexyl-10,20-diphenyl-5-sec-butyl-21,22-dihydroporphyrin CAS Name: 5-butan-2-yl-15-hexyl-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5-butan-2-yl-15-hexyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-hexyl-10,20-diphenyl-5-sec-butyl-21,22-dihydroporphine Formula: C42H42N4 MolecularWeight: 602.80968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C(C)CC)N3)C7=CC=CC=C7

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)C(C)CC)N3)C7=CC=CC=C7

InChI

InChI=1S/C42H42N4/c1-4-6-7-14-19-31-32-20-22-36(43-32)41(29-15-10-8-11-16-29)38-26-24-34(45-38)40(28(3)5-2)35-25-27-39(46-35)42(30-17-12-9-13-18-30)37-23-21-33(31)44-37/h8-13,15-18,20-28,45-46H,4-7,14,19H2,1-3H3