15-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin

Systemtic Name: 15-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin Openeye Name: 15-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin CAS Name: 15-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin IUPAC Name: 15-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin Traditional Name: 15-[4-[3,5-bis(trifluoromethyl)benzyl]oxyphenyl]-3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-21,22-dihydroporphine Formula: C47H46F6N4O MolecularWeight: 796.884759

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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)CC)C6=CC=C(C=C6)OCC7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C(=C3CC)C)C

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)CC)C6=CC=C(C=C6)OCC7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C(=C3CC)C)C

InChI

InChI=1S/C47H46F6N4O/c1-9-33-24(5)37-20-41-35(11-3)26(7)44(56-41)43(29-13-15-32(16-14-29)58-23-28-17-30(46(48,49)50)19-31(18-28)47(51,52)53)45-27(8)36(12-4)42(57-45)21-38-25(6)34(10-2)40(55-38)22-39(33)54-37/h13-22,54-55H,9-12,23H2,1-8H3