diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane

C26H30NP — CID 102512205

IUPACdiphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane
SMILESCC(C)c1cccc([C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H30NP/c1-20(2)24-17-11-18-25(27-24)23-16-9-10-19-26(23)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,11-15,17-18,20,23,26H,9-10,16,19H2,1-2H3/t23-,26+/m0/s1
InChIKeySCOCUQNUKUSKHT-JYFHCDHNSA-N
MW387.51 g/mol
LogP6.36
Rot. Bonds5

About diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane

diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane (PubChem CID 102512205) has the molecular formula C26H30NP and a molecular weight of 387.51 g/mol. Its IUPAC name is diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane
PubChem CID102512205
Molecular FormulaC26H30NP
Molecular Weight387.51 g/mol
Exact Mass387.21
IUPAC Namediphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane
SMILESCC(C)c1cccc([C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H30NP/c1-20(2)24-17-11-18-25(27-24)23-16-9-10-19-26(23)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,11-15,17-18,20,23,26H,9-10,16,19H2,1-2H3/t23-,26+/m0/s1
InChIKeySCOCUQNUKUSKHT-JYFHCDHNSA-N
XLogP6.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane?
The IUPAC name of diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane (CID 102512205) is diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane.
What is the SMILES notation for diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane?
The canonical SMILES for diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane is CC(C)c1cccc([C@@H]2CCCC[C@H]2P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane?
The InChIKey is SCOCUQNUKUSKHT-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H30NP/c1-20(2)24-17-11-18-25(27-24)23-16-9-10-19-26(23)28(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,11-15,17-18,20,23,26H,9-10,16,19H2,1-2H3/t23-,26+/m0/s1.
What are the key properties of diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane?
diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane has a molecular weight of 387.51 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(1R,2S)-2-(6-propan-2-yl-2-pyridinyl)cyclohexyl]phosphane is sourced from PubChem (CID 102512205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).