3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphyrin

Systemtic Name: 3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphyrin Openeye Name: 3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphyrin CAS Name: 3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphyrin IUPAC Name: 3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphyrin Traditional Name: 3,7-dibutyl-2,8,12,13,17,18-hexamethyl-15-phenyl-21,22-dihydroporphine Formula: C40H46N4 MolecularWeight: 582.82004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CCCC)C)C(=C4C)C)C6=CC=CC=C6)C(=C3C)C)C

Isomeric SMILES

CCCCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CCCC)C)C(=C4C)C)C6=CC=CC=C6)C(=C3C)C)C

InChI

InChI=1S/C40H46N4/c1-9-11-18-30-27(7)34-20-32-23(3)25(5)39(43-32)38(29-16-14-13-15-17-29)40-26(6)24(4)33(44-40)21-35-28(8)31(19-12-10-2)37(42-35)22-36(30)41-34/h13-17,20-22,41-42H,9-12,18-19H2,1-8H3