15-bromanyl-N-butyl-10,20-diphenyl-21,22-dihydroporphyrin-5-amine

Systemtic Name: 15-bromanyl-N-butyl-10,20-diphenyl-21,22-dihydroporphyrin-5-amine Openeye Name: 15-bromo-N-butyl-10,20-diphenyl-21,22-dihydroporphyrin-5-amine CAS Name: 15-bromo-N-butyl-10,20-diphenyl-21,22-dihydroporphyrin-5-amine IUPAC Name: 15-bromo-N-butyl-10,20-diphenyl-21,22-dihydroporphyrin-5-amine Traditional Name: (15-bromo-10,20-diphenyl-21,22-dihydroporphin-5-yl)-butyl-amine Formula: C36H30BrN5 MolecularWeight: 612.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)N2

Isomeric SMILES

CCCCNC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=CC=CC=C6)C=C4)Br)C=C3)C7=CC=CC=C7)N2

InChI

InChI=1S/C36H30BrN5/c1-2-3-22-38-36-31-20-16-27(41-31)33(23-10-6-4-7-11-23)25-14-18-29(39-25)35(37)30-19-15-26(40-30)34(24-12-8-5-9-13-24)28-17-21-32(36)42-28/h4-21,38,41-42H,2-3,22H2,1H3