triphenyl(9-phenylphosphanylnonyl)phosphanium

C33H39P2+ — CID 90048774

IUPACtriphenyl(9-phenylphosphanylnonyl)phosphanium
SMILESc1ccc(PCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H39P2/c1(2-4-18-28-34-30-20-10-6-11-21-30)3-5-19-29-35(31-22-12-7-13-23-31,32-24-14-8-15-25-32)33-26-16-9-17-27-33/h6-17,20-27,34H,1-5,18-19,28-29H2/q+1
InChIKeyIKAOSKMIQCIDBA-UHFFFAOYSA-N
MW497.62 g/mol
LogP7.72
Rot. Bonds14

About triphenyl(9-phenylphosphanylnonyl)phosphanium

triphenyl(9-phenylphosphanylnonyl)phosphanium (PubChem CID 90048774) has the molecular formula C33H39P2+ and a molecular weight of 497.62 g/mol. Its IUPAC name is triphenyl(9-phenylphosphanylnonyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(9-phenylphosphanylnonyl)phosphanium
PubChem CID90048774
Molecular FormulaC33H39P2+
Molecular Weight497.62 g/mol
Exact Mass497.25
IUPAC Nametriphenyl(9-phenylphosphanylnonyl)phosphanium
SMILESc1ccc(PCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H39P2/c1(2-4-18-28-34-30-20-10-6-11-21-30)3-5-19-29-35(31-22-12-7-13-23-31,32-24-14-8-15-25-32)33-26-16-9-17-27-33/h6-17,20-27,34H,1-5,18-19,28-29H2/q+1
InChIKeyIKAOSKMIQCIDBA-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
4-iodobutyl(triphenyl)phosphanium
CID 16760510
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
palladium(2+);phenyl(3-phenylphosphanylpropyl)phosphane;dibromide
CID 18446087
hexyl(triphenyl)phosphanium
CID 2724570
5-bromopentyl(triphenyl)phosphanium
CID 53436148
8-bromooctyl(triphenyl)phosphanium
CID 11991463
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
dodecyl(triphenyl)phosphanium fluoride
CID 88725542

Frequently Asked Questions

What is the IUPAC name of triphenyl(9-phenylphosphanylnonyl)phosphanium?
The IUPAC name of triphenyl(9-phenylphosphanylnonyl)phosphanium (CID 90048774) is triphenyl(9-phenylphosphanylnonyl)phosphanium.
What is the SMILES notation for triphenyl(9-phenylphosphanylnonyl)phosphanium?
The canonical SMILES for triphenyl(9-phenylphosphanylnonyl)phosphanium is c1ccc(PCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(9-phenylphosphanylnonyl)phosphanium?
The InChIKey is IKAOSKMIQCIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39P2/c1(2-4-18-28-34-30-20-10-6-11-21-30)3-5-19-29-35(31-22-12-7-13-23-31,32-24-14-8-15-25-32)33-26-16-9-17-27-33/h6-17,20-27,34H,1-5,18-19,28-29H2/q+1.
What are the key properties of triphenyl(9-phenylphosphanylnonyl)phosphanium?
triphenyl(9-phenylphosphanylnonyl)phosphanium has a molecular weight of 497.62 g/mol, XLogP of 7.72, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(9-phenylphosphanylnonyl)phosphanium is sourced from PubChem (CID 90048774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).