dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane

C37H42OP2 — CID 11678551

IUPACdicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane
SMILESCOc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H42OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-3,6-9,14-20,25-28,31-32H,4-5,10-13,21-24H2,1H3
InChIKeyHXJFEGZWWZTTKE-UHFFFAOYSA-N
MW564.69 g/mol
LogP8.89
Rot. Bonds8

About dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane

dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane (PubChem CID 11678551) has the molecular formula C37H42OP2 and a molecular weight of 564.69 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane
PubChem CID11678551
Molecular FormulaC37H42OP2
Molecular Weight564.69 g/mol
Exact Mass564.27
IUPAC Namedicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane
SMILESCOc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H42OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-3,6-9,14-20,25-28,31-32H,4-5,10-13,21-24H2,1H3
InChIKeyHXJFEGZWWZTTKE-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 58.89
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 dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane (CID 11678551) is dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane is COc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane?
The InChIKey is HXJFEGZWWZTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-3,6-9,14-20,25-28,31-32H,4-5,10-13,21-24H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane?
dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane has a molecular weight of 564.69 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-diphenylphosphanylphenyl)-3-methoxyphenyl]phosphane is sourced from PubChem (CID 11678551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).