5-[4,5-bis(diphenylphosphanyl)-7-hexyl-9,9-dimethyl-xanthen-2-yl]pentan-1-amine

Systemtic Name: 5-[4,5-bis(diphenylphosphanyl)-7-hexyl-9,9-dimethyl-xanthen-2-yl]pentan-1-amine Openeye Name: 5-[4,5-bis(diphenylphosphanyl)-7-hexyl-9,9-dimethyl-xanthen-2-yl]pentan-1-amine CAS Name: 5-[4,5-bis(diphenylphosphino)-7-hexyl-9,9-dimethyl-2-xanthenyl]-1-pentanamine IUPAC Name: 5-[4,5-bis(diphenylphosphanyl)-7-hexyl-9,9-dimethylxanthen-2-yl]pentan-1-amine Traditional Name: 5-[4,5-bis(diphenylphosphino)-7-hexyl-9,9-dimethyl-xanthen-2-yl]pentylamine Formula: C50H55NOP2 MolecularWeight: 747.925322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3O2)P(C4=CC=CC=C4)C5=CC=CC=C5)CCCCCN)(C)C)P(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCCCCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3O2)P(C4=CC=CC=C4)C5=CC=CC=C5)CCCCCN)(C)C)P(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C50H55NOP2/c1-4-5-6-12-23-38-34-44-48(46(36-38)53(40-25-14-7-15-26-40)41-27-16-8-17-28-41)52-49-45(50(44,2)3)35-39(24-13-11-22-33-51)37-47(49)54(42-29-18-9-19-30-42)43-31-20-10-21-32-43/h7-10,14-21,25-32,34-37H,4-6,11-13,22-24,33,51H2,1-3H3