ditert-butyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate

Systemtic Name: ditert-butyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Openeye Name: ditert-butyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate CAS Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 10,15-bis(4-cyanophenyl)-22,24-dihydroporphyrin-2,3-dicarboxylate Traditional Name: 10,15-bis(4-cyanophenyl)-22,24-dihydroporphine-2,3-dicarboxylic acid ditert-butyl ester Formula: C44H36N6O4 MolecularWeight: 712.79444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C44H36N6O4/c1-43(2,3)53-41(51)39-35-21-29-15-17-31(47-29)37(27-11-7-25(23-45)8-12-27)33-19-20-34(49-33)38(28-13-9-26(24-46)10-14-28)32-18-16-30(48-32)22-36(50-35)40(39)42(52)54-44(4,5)6/h7-22,47-48H,1-6H3