[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane

C30H30P2 — CID 59800266

IUPAC[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1
InChIKeyYLDJNDYRGPTCKV-LOYHVIPDSA-N
MW452.52 g/mol
LogP6.56
Rot. Bonds6

About [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane

[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane (PubChem CID 59800266) has the molecular formula C30H30P2 and a molecular weight of 452.52 g/mol. Its IUPAC name is [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
PubChem CID59800266
Molecular FormulaC30H30P2
Molecular Weight452.52 g/mol
Exact Mass452.18
IUPAC Name[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1
InChIKeyYLDJNDYRGPTCKV-LOYHVIPDSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.56
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-diphenylphosphanylcyclohexan-1-ol
CID 15198683
2-diphenylphosphanylcyclohexane-1-thiol
CID 132606226
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
cyclononyl(diphenyl)phosphane
CID 70908257
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane?
The IUPAC name of [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane (CID 59800266) is [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane.
What is the SMILES notation for [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane?
The canonical SMILES for [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane is c1ccc(P(c2ccccc2)[C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane?
The InChIKey is YLDJNDYRGPTCKV-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H30P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1.
What are the key properties of [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane?
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane has a molecular weight of 452.52 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane is sourced from PubChem (CID 59800266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).