[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane

C35H40P2 — CID 129170795

IUPAC[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
SMILESCC(C)[C@@]1(C)CC(P(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C35H40P2/c1-27(2)35(4)26-34(37(31-21-13-7-14-22-31)32-23-15-8-16-24-32)33(25-28(35)3)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h5-24,27-28,33-34H,25-26H2,1-4H3/t28?,33?,34?,35-/m1/s1
InChIKeyXWYAZMXUKHVCRW-XWNLCSOVSA-N
MW522.65 g/mol
LogP8.08
Rot. Bonds7

About [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane

[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane (PubChem CID 129170795) has the molecular formula C35H40P2 and a molecular weight of 522.65 g/mol. Its IUPAC name is [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane.

Molecular Properties

Compound Name[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
PubChem CID129170795
Molecular FormulaC35H40P2
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
SMILESCC(C)[C@@]1(C)CC(P(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C35H40P2/c1-27(2)35(4)26-34(37(31-21-13-7-14-22-31)32-23-15-8-16-24-32)33(25-28(35)3)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h5-24,27-28,33-34H,25-26H2,1-4H3/t28?,33?,34?,35-/m1/s1
InChIKeyXWYAZMXUKHVCRW-XWNLCSOVSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane?
The IUPAC name of [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane (CID 129170795) is [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane.
What is the SMILES notation for [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane?
The canonical SMILES for [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane is CC(C)[C@@]1(C)CC(P(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane?
The InChIKey is XWYAZMXUKHVCRW-XWNLCSOVSA-N. The full InChI is InChI=1S/C35H40P2/c1-27(2)35(4)26-34(37(31-21-13-7-14-22-31)32-23-15-8-16-24-32)33(25-28(35)3)36(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h5-24,27-28,33-34H,25-26H2,1-4H3/t28?,33?,34?,35-/m1/s1.
What are the key properties of [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane?
[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane has a molecular weight of 522.65 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane is sourced from PubChem (CID 129170795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).