10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-bromophenyl)-5,15-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C60H60Br2N4 MolecularWeight: 996.9532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)Br)C=C5)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=C(C=C9)Br)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)Br)C=C5)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC=C(C=C9)Br)N3)C(C)(C)C

InChI

InChI=1S/C60H60Br2N4/c1-57(2,3)39-29-37(30-40(33-39)58(4,5)6)55-49-25-21-45(63-49)53(35-13-17-43(61)18-14-35)47-23-27-51(65-47)56(38-31-41(59(7,8)9)34-42(32-38)60(10,11)12)52-28-24-48(66-52)54(46-22-26-50(55)64-46)36-15-19-44(62)20-16-36/h13-34,63-64H,1-12H3