acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane

C33H37P5 — CID 123381145

IUPACacetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane
SMILESC#C.CC1CC(P(c2ccccc2)c2ccccc2)CC(P(c2ccccc2)c2ccccc2)C1.[pH]1[pH][pH]1
InChIInChI=1S/C31H32P2.C2H2.H3P3/c1-25-22-30(32(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-31(23-25)33(28-18-10-4-11-19-28)29-20-12-5-13-21-29;1-2;1-2-3-1/h2-21,25,30-31H,22-24H2,1H3;1-2H;1-3H
InChIKeyZERUXZJMOSIMAE-UHFFFAOYSA-N
MW588.53 g/mol
LogP8.84
Rot. Bonds6

About acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane

acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane (PubChem CID 123381145) has the molecular formula C33H37P5 and a molecular weight of 588.53 g/mol. Its IUPAC name is acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane.

Molecular Properties

Compound Nameacetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane
PubChem CID123381145
Molecular FormulaC33H37P5
Molecular Weight588.53 g/mol
Exact Mass588.16
IUPAC Nameacetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane
SMILESC#C.CC1CC(P(c2ccccc2)c2ccccc2)CC(P(c2ccccc2)c2ccccc2)C1.[pH]1[pH][pH]1
InChIInChI=1S/C31H32P2.C2H2.H3P3/c1-25-22-30(32(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-31(23-25)33(28-18-10-4-11-19-28)29-20-12-5-13-21-29;1-2;1-2-3-1/h2-21,25,30-31H,22-24H2,1H3;1-2H;1-3H
InChIKeyZERUXZJMOSIMAE-UHFFFAOYSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.53
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
cyclononyl(diphenyl)phosphane
CID 70908257
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
[(2S,4S)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 101030870
[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 88728895
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane
CID 162297451
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
CID 157498362
CID 157498362
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097

Frequently Asked Questions

What is the IUPAC name of acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane?
The IUPAC name of acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane (CID 123381145) is acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane.
What is the SMILES notation for acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane?
The canonical SMILES for acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane is C#C.CC1CC(P(c2ccccc2)c2ccccc2)CC(P(c2ccccc2)c2ccccc2)C1.[pH]1[pH][pH]1.
What is the InChIKey of acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane?
The InChIKey is ZERUXZJMOSIMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32P2.C2H2.H3P3/c1-25-22-30(32(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-31(23-25)33(28-18-10-4-11-19-28)29-20-12-5-13-21-29;1-2;1-2-3-1/h2-21,25,30-31H,22-24H2,1H3;1-2H;1-3H.
What are the key properties of acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane?
acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane has a molecular weight of 588.53 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane is sourced from PubChem (CID 123381145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).