3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(p-tolyl)-21,22-dihydroporphyrin CAS Name: 3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 3,7-diethyl-2,8,12,13,17,18-hexamethyl-15-(p-tolyl)-21,22-dihydroporphine Formula: C37H40N4 MolecularWeight: 540.7403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)C)C6=CC=C(C=C6)C)C(=C3C)C)C

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)C)C6=CC=C(C=C6)C)C(=C3C)C)C

InChI

InChI=1S/C37H40N4/c1-10-27-24(8)31-16-29-20(4)22(6)36(40-29)35(26-14-12-19(3)13-15-26)37-23(7)21(5)30(41-37)17-32-25(9)28(11-2)34(39-32)18-33(27)38-31/h12-18,38-39H,10-11H2,1-9H3