10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-13-(trifluoromethyl)-21,22-dihydroporphine Formula: C49H53F3N4 MolecularWeight: 754.96713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)C(F)(F)F)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=C(C(=N5)C=C6C=CC2=N6)C(F)(F)F)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C49H53F3N4/c1-45(2,3)30-19-28(20-31(23-30)46(4,5)6)43-38-16-13-34(53-38)25-35-14-17-40(54-35)44(29-21-32(47(7,8)9)24-33(22-29)48(10,11)12)42-27-37(49(50,51)52)41(56-42)26-36-15-18-39(43)55-36/h13-27,53-54H,1-12H3