5-butyl-15-(4-iodanylbutyl)-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-butyl-15-(4-iodanylbutyl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5-butyl-15-(4-iodobutyl)-10,20-diphenyl-21,22-dihydroporphine Formula: C40H37IN4 MolecularWeight: 700.65305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCCI)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)CCCCI)C=C3)C7=CC=CC=C7)N2

InChI

InChI=1S/C40H37IN4/c1-2-3-16-29-31-18-22-35(42-31)39(27-12-6-4-7-13-27)37-24-20-33(44-37)30(17-10-11-26-41)34-21-25-38(45-34)40(28-14-8-5-9-15-28)36-23-19-32(29)43-36/h4-9,12-15,18-25,42-43H,2-3,10-11,16-17,26H2,1H3