15-(4-nitrophenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(4-nitrophenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(4-nitrophenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 15-(4-nitrophenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(4-nitrophenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-dimesityl-15-(4-nitrophenyl)-21,22-dihydroporphine Formula: C44H37N5O2 MolecularWeight: 667.79688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=C(C=C(C=C8C)C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=C(C=C(C=C8C)C)C)N3)C

InChI

InChI=1S/C44H37N5O2/c1-24-19-26(3)40(27(4)20-24)43-36-13-9-31(45-36)23-32-10-14-37(46-32)44(41-28(5)21-25(2)22-29(41)6)39-18-16-35(48-39)42(34-15-17-38(43)47-34)30-7-11-33(12-8-30)49(50)51/h7-23,45-46H,1-6H3