15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-butyl-10-(4-ethynylphenyl)-20-hexyl-5-(3-methoxyphenyl)-21,22-dihydroporphine Formula: C45H44N4O MolecularWeight: 656.85706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C1N5)C6=CC(=CC=C6)OC)N4)C7=CC=C(C=C7)C#C)CCCC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C1N5)C6=CC(=CC=C6)OC)N4)C7=CC=C(C=C7)C#C)CCCC

InChI

InChI=1S/C45H44N4O/c1-5-8-10-11-16-35-37-22-21-36(46-37)34(15-9-6-2)38-23-25-40(47-38)44(31-19-17-30(7-3)18-20-31)41-27-28-43(49-41)45(42-26-24-39(35)48-42)32-13-12-14-33(29-32)50-4/h3,12-14,17-29,48-49H,5-6,8-11,15-16H2,1-2,4H3