10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-nitrophenyl)-5,15-diphenyl-21,22-dihydroporphine Formula: C44H28N6O4 MolecularWeight: 704.73092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)C9=CC=C(C=C9)[N+](=O)[O-])N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)C9=CC=C(C=C9)[N+](=O)[O-])N3

InChI

InChI=1S/C44H28N6O4/c51-49(52)31-15-11-29(12-16-31)43-37-23-19-33(45-37)41(27-7-3-1-4-8-27)34-20-24-38(46-34)44(30-13-17-32(18-14-30)50(53)54)40-26-22-36(48-40)42(28-9-5-2-6-10-28)35-21-25-39(43)47-35/h1-26,45-46H