2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane

C33H36P2 — CID 23403229

IUPAC2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1CC1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36P2/c1-32(2,34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)30-25-31(30)33(3,4)35(28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,30-31H,25H2,1-4H3
InChIKeyLCWQHFSPOXACFE-UHFFFAOYSA-N
MW494.60 g/mol
LogP7.45
Rot. Bonds8

About 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane

2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane (PubChem CID 23403229) has the molecular formula C33H36P2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane.

Molecular Properties

Compound Name2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
PubChem CID23403229
Molecular FormulaC33H36P2
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
SMILESCC(C)(C1CC1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36P2/c1-32(2,34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)30-25-31(30)33(3,4)35(28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,30-31H,25H2,1-4H3
InChIKeyLCWQHFSPOXACFE-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
CID 23403234
1-diphenylphosphanylethane-1,1-diol
CID 151023834
2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione
CID 157056379
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
2,2-dimethylpropane;triphenylphosphane
CID 143924519
diphenyl-[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]phosphane
CID 170897211
[tert-butyl(dimethyl)silyl]-diphenylphosphane
CID 11185679
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185721
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996
diphenyl(2-thiophen-2-ylpropan-2-yl)phosphane
CID 175478785
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
ethane;triphenylphosphane
CID 90942156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane?
The IUPAC name of 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane (CID 23403229) is 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane.
What is the SMILES notation for 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane?
The canonical SMILES for 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane is CC(C)(C1CC1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane?
The InChIKey is LCWQHFSPOXACFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36P2/c1-32(2,34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)30-25-31(30)33(3,4)35(28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,30-31H,25H2,1-4H3.
What are the key properties of 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane?
2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane has a molecular weight of 494.60 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane is sourced from PubChem (CID 23403229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).