15-bromanyl-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-bromanyl-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-bromo-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 15-bromo-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-bromo-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-bromo-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C48H53BrN4 MolecularWeight: 765.86522

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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=CC(=N5)C(=C6C=CC2=N6)Br)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=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C

InChI

InChI=1S/C48H53BrN4/c1-45(2,3)30-21-28(22-31(25-30)46(4,5)6)42-36-15-13-34(50-36)27-35-14-16-37(51-35)43(29-23-32(47(7,8)9)26-33(24-29)48(10,11)12)39-18-20-41(53-39)44(49)40-19-17-38(42)52-40/h13-27,50-51H,1-12H3