15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C73H86N6 MolecularWeight: 1047.50414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1)C=CN=C2)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C2=C(N1)C=CN=C2)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C73H86N6/c1-20-21-22-54-66(52-42-74-32-31-53(52)75-54)67-61-29-27-59(78-61)64(44-35-48(70(8,9)10)40-49(36-44)71(11,12)13)57-25-23-55(76-57)63(43-33-46(68(2,3)4)39-47(34-43)69(5,6)7)56-24-26-58(77-56)65(60-28-30-62(67)79-60)45-37-50(72(14,15)16)41-51(38-45)73(17,18)19/h23-42,75-77H,20-22H2,1-19H3