dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane

C38H56O2P2 — CID 10866086

IUPACdicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane
SMILESCOc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(OC)cccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H56O2P2/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-32H,3-14,17-24H2,1-2H3
InChIKeyGPCJHPFJVIOTLA-UHFFFAOYSA-N
MW606.81 g/mol
LogP10.92
Rot. Bonds9

About dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane

dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane (PubChem CID 10866086) has the molecular formula C38H56O2P2 and a molecular weight of 606.81 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane
PubChem CID10866086
Molecular FormulaC38H56O2P2
Molecular Weight606.81 g/mol
Exact Mass606.38
IUPAC Namedicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane
SMILESCOc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(OC)cccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H56O2P2/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-32H,3-14,17-24H2,1-2H3
InChIKeyGPCJHPFJVIOTLA-UHFFFAOYSA-N
XLogP10.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane (CID 10866086) is dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane is COc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(OC)cccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane?
The InChIKey is GPCJHPFJVIOTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56O2P2/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h15-16,25-32H,3-14,17-24H2,1-2H3.
What are the key properties of dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane?
dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane has a molecular weight of 606.81 g/mol, XLogP of 10.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]phosphane is sourced from PubChem (CID 10866086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).