2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-(4-tert-butylphenoxy)-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C54H42N4O MolecularWeight: 762.93748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C54H42N4O/c1-54(2,3)39-24-26-40(27-25-39)59-48-34-47-51(37-20-12-6-13-21-37)45-31-30-43(56-45)49(35-16-8-4-9-17-35)41-28-29-42(55-41)50(36-18-10-5-11-19-36)44-32-33-46(57-44)52(53(48)58-47)38-22-14-7-15-23-38/h4-34,56,58H,1-3H3