5-(4-ethynylphenyl)-10,15,20-tripentyl-21,22-dihydroporphyrin

Systemtic Name: 5-(4-ethynylphenyl)-10,15,20-tripentyl-21,22-dihydroporphyrin Openeye Name: 5-(4-ethynylphenyl)-10,15,20-tripentyl-21,22-dihydroporphyrin CAS Name: 5-(4-ethynylphenyl)-10,15,20-tripentyl-21,22-dihydroporphyrin IUPAC Name: 5-(4-ethynylphenyl)-10,15,20-tripentyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-triamyl-5-(4-ethynylphenyl)-21,22-dihydroporphine Formula: C43H48N4 MolecularWeight: 620.86802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)C6=CC=C(C=C6)C#C)N2

Isomeric SMILES

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)C6=CC=C(C=C6)C#C)N2

InChI

InChI=1S/C43H48N4/c1-5-9-12-15-32-35-22-24-37(44-35)33(16-13-10-6-2)39-26-28-41(46-39)43(31-20-18-30(8-4)19-21-31)42-29-27-40(47-42)34(17-14-11-7-3)38-25-23-36(32)45-38/h4,18-29,46-47H,5-7,9-17H2,1-3H3