dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane

C38H58N2O4P2 — CID 11309114

IUPACdicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane
SMILESCOc1cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(OC)nc2OC)c(OC)n1
InChIInChI=1S/C38H58N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3
InChIKeyLFNJYLCOFOJLPL-UHFFFAOYSA-N
MW668.84 g/mol
LogP9.72
Rot. Bonds11

About dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane

dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane (PubChem CID 11309114) has the molecular formula C38H58N2O4P2 and a molecular weight of 668.84 g/mol. Its IUPAC name is dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane
PubChem CID11309114
Molecular FormulaC38H58N2O4P2
Molecular Weight668.84 g/mol
Exact Mass668.39
IUPAC Namedicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane
SMILESCOc1cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(OC)nc2OC)c(OC)n1
InChIInChI=1S/C38H58N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3
InChIKeyLFNJYLCOFOJLPL-UHFFFAOYSA-N
XLogP9.72
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane?
The IUPAC name of dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane (CID 11309114) is dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane.
What is the SMILES notation for dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane?
The canonical SMILES for dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane is COc1cc(P(C2CCCCC2)C2CCCCC2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(OC)nc2OC)c(OC)n1.
What is the InChIKey of dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane?
The InChIKey is LFNJYLCOFOJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h25-30H,5-24H2,1-4H3.
What are the key properties of dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane?
dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane has a molecular weight of 668.84 g/mol, XLogP of 9.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[3-(4-dicyclohexylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]phosphane is sourced from PubChem (CID 11309114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).