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

Systemtic Name: 5,10-bis(4-tert-butylphenyl)-15,20-di(cyclopentyl)-21,22-dihydroporphyrin Openeye Name: 5,10-bis(4-tert-butylphenyl)-15,20-di(cyclopentyl)-21,22-dihydroporphyrin CAS Name: 5,10-bis(4-tert-butylphenyl)-15,20-di(cyclopentyl)-21,22-dihydroporphyrin IUPAC Name: 5,10-bis(4-tert-butylphenyl)-15,20-di(cyclopentyl)-21,22-dihydroporphyrin Traditional Name: 5,10-bis(4-tert-butylphenyl)-15,20-di(cyclopentyl)-21,22-dihydroporphine Formula: C50H44N4 MolecularWeight: 700.91116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)[C]7[CH][CH][CH][CH]7)[C]8[CH][CH][CH][CH]8)C9=CC=C(C=C9)C(C)(C)C)N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)[C]7[CH][CH][CH][CH]7)[C]8[CH][CH][CH][CH]8)C9=CC=C(C=C9)C(C)(C)C)N3

InChI

InChI=1S/C50H44N4/c1-49(2,3)35-19-15-33(16-20-35)47-41-27-25-39(52-41)45(31-11-7-8-12-31)37-23-24-38(51-37)46(32-13-9-10-14-32)40-26-28-42(53-40)48(44-30-29-43(47)54-44)34-17-21-36(22-18-34)50(4,5)6/h7-30,52,54H,1-6H3