10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-tert-butylphenyl)-15-cyclopentyl-5-mesityl-21,22-dihydroporphine Formula: C54H56N4 MolecularWeight: 761.04924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C(C)(C)C)C=C5)C8CCCC8)C=C4)C9=CC=C(C=C9)C(C)(C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C(C)(C)C)C=C5)C8CCCC8)C=C4)C9=CC=C(C=C9)C(C)(C)C)N3)C

InChI

InChI=1S/C54H56N4/c1-32-30-33(2)48(34(3)31-32)52-46-28-26-44(57-46)50(36-14-18-38(19-15-36)53(4,5)6)42-24-22-40(55-42)49(35-12-10-11-13-35)41-23-25-43(56-41)51(45-27-29-47(52)58-45)37-16-20-39(21-17-37)54(7,8)9/h14-31,35,57-58H,10-13H2,1-9H3