5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphyrin Openeye Name: 5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphyrin CAS Name: 5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphyrin Traditional Name: 5-(4-tert-butylphenyl)-10,15,20-tri(cyclopentyl)-21,22-dihydroporphine Formula: C45H35N4 MolecularWeight: 631.7862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)[C]7[CH][CH][CH][CH]7)C=C5)[C]8[CH][CH][CH][CH]8)C=C4)[C]9[CH][CH][CH][CH]9)N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)[C]7[CH][CH][CH][CH]7)C=C5)[C]8[CH][CH][CH][CH]8)C=C4)[C]9[CH][CH][CH][CH]9)N3

InChI

InChI=1S/C45H35N4/c1-45(2,3)32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-7-13-29)35-22-20-33(46-35)41(28-10-4-5-11-28)34-21-23-36(47-34)43(30-14-8-9-15-30)38-25-27-40(44)49-38/h4-27,48-49H,1-3H3