dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane

C42H64O2P2 — CID 11250875

IUPACdicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
SMILESCOc1c(C)cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C42H64O2P2/c1-29-27-37(45(33-19-11-7-12-20-33)34-21-13-8-14-22-34)39(31(3)41(29)43-5)40-32(4)42(44-6)30(2)28-38(40)46(35-23-15-9-16-24-35)36-25-17-10-18-26-36/h27-28,33-36H,7-26H2,1-6H3
InChIKeySFGHVJXCVVPKAT-UHFFFAOYSA-N
MW662.92 g/mol
LogP12.15
Rot. Bonds9

About dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane

dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane (PubChem CID 11250875) has the molecular formula C42H64O2P2 and a molecular weight of 662.92 g/mol. Its IUPAC name is dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
PubChem CID11250875
Molecular FormulaC42H64O2P2
Molecular Weight662.92 g/mol
Exact Mass662.44
IUPAC Namedicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
SMILESCOc1c(C)cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(OC)c2C)c1C
InChIInChI=1S/C42H64O2P2/c1-29-27-37(45(33-19-11-7-12-20-33)34-21-13-8-14-22-34)39(31(3)41(29)43-5)40-32(4)42(44-6)30(2)28-38(40)46(35-23-15-9-16-24-35)36-25-17-10-18-26-36/h27-28,33-36H,7-26H2,1-6H3
InChIKeySFGHVJXCVVPKAT-UHFFFAOYSA-N
XLogP12.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.92
LogP ≤ 512.15
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-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane (CID 11250875) is dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane is COc1c(C)cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(OC)c2C)c1C.
What is the InChIKey of dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane?
The InChIKey is SFGHVJXCVVPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64O2P2/c1-29-27-37(45(33-19-11-7-12-20-33)34-21-13-8-14-22-34)39(31(3)41(29)43-5)40-32(4)42(44-6)30(2)28-38(40)46(35-23-15-9-16-24-35)36-25-17-10-18-26-36/h27-28,33-36H,7-26H2,1-6H3.
What are the key properties of dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane?
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane has a molecular weight of 662.92 g/mol, XLogP of 12.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane is sourced from PubChem (CID 11250875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).