5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-dibutyl-10,20-diphenyl-21,22-dihydroporphine Formula: C40H38N4 MolecularWeight: 574.75652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCC)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCC)C=C3)C7=CC=CC=C7)N2

InChI

InChI=1S/C40H38N4/c1-3-5-17-29-31-19-23-35(41-31)39(27-13-9-7-10-14-27)37-25-21-33(43-37)30(18-6-4-2)34-22-26-38(44-34)40(28-15-11-8-12-16-28)36-24-20-32(29)42-36/h7-16,19-26,41-42H,3-6,17-18H2,1-2H3