4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-1-ol

Systemtic Name: 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-1-ol Openeye Name: 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-1-ol CAS Name: 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-butyn-1-ol IUPAC Name: 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-1-ol Traditional Name: 4-(10,20-diphenyl-23,24-dihydroporphin-5-yl)but-3-yn-1-ol Formula: C36H26N4O MolecularWeight: 530.61784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C#CCCO)C7=CC=CC=C7)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C#CCCO)C7=CC=CC=C7)N3

InChI

InChI=1S/C36H26N4O/c41-22-8-7-13-28-29-18-20-33(39-29)35(24-9-3-1-4-10-24)31-16-14-26(37-31)23-27-15-17-32(38-27)36(25-11-5-2-6-12-25)34-21-19-30(28)40-34/h1-6,9-12,14-21,23,37-38,41H,8,22H2