diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane

C22H25P — CID 117070680

IUPACdiphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2CC3C4CCC(C4)C3C2)cc1
InChIInChI=1S/C22H25P/c1-3-7-18(8-4-1)23(19-9-5-2-6-10-19)20-14-21-16-11-12-17(13-16)22(21)15-20/h1-10,16-17,20-22H,11-15H2
InChIKeyCKSKIJRUFATITH-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.94
Rot. Bonds3

About diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane

diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane (PubChem CID 117070680) has the molecular formula C22H25P and a molecular weight of 320.42 g/mol. Its IUPAC name is diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane.

Molecular Properties

Compound Namediphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
PubChem CID117070680
Molecular FormulaC22H25P
Molecular Weight320.42 g/mol
Exact Mass320.17
IUPAC Namediphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2CC3C4CCC(C4)C3C2)cc1
InChIInChI=1S/C22H25P/c1-3-7-18(8-4-1)23(19-9-5-2-6-10-19)20-14-21-16-11-12-17(13-16)22(21)15-20/h1-10,16-17,20-22H,11-15H2
InChIKeyCKSKIJRUFATITH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.94
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

cyclononyl(diphenyl)phosphane
CID 70908257
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
CID 117070640
CID 117070640
[(1R,2R,3S,4S)-3-(diphenylphosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 13296398
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
acetylene;(3-diphenylphosphanyl-5-methylcyclohexyl)-diphenylphosphane;triphosphirane
CID 123381145
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
CID 23403234
[(2R)-4-diphenylphosphanyl-1-methylpyrrolidin-2-yl]-diphenylphosphane
CID 88728895

Frequently Asked Questions

What is the IUPAC name of diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane?
The IUPAC name of diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane (CID 117070680) is diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane.
What is the SMILES notation for diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane?
The canonical SMILES for diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane is c1ccc(P(c2ccccc2)C2CC3C4CCC(C4)C3C2)cc1.
What is the InChIKey of diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane?
The InChIKey is CKSKIJRUFATITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25P/c1-3-7-18(8-4-1)23(19-9-5-2-6-10-19)20-14-21-16-11-12-17(13-16)22(21)15-20/h1-10,16-17,20-22H,11-15H2.
What are the key properties of diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane?
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane has a molecular weight of 320.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane is sourced from PubChem (CID 117070680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).