phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane

C26H26N2OP2 — CID 87929874

IUPACphenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane
SMILESCC(OC(C)P(c1ccccc1)c1cccnc1)P(c1ccccc1)c1cccnc1
InChIInChI=1S/C26H26N2OP2/c1-21(30(23-11-5-3-6-12-23)25-15-9-17-27-19-25)29-22(2)31(24-13-7-4-8-14-24)26-16-10-18-28-20-26/h3-22H,1-2H3
InChIKeyIUTZXPYAUUMQFQ-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.75
Rot. Bonds8

About phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane

phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane (PubChem CID 87929874) has the molecular formula C26H26N2OP2 and a molecular weight of 444.46 g/mol. Its IUPAC name is phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane.

Molecular Properties

Compound Namephenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane
PubChem CID87929874
Molecular FormulaC26H26N2OP2
Molecular Weight444.46 g/mol
Exact Mass444.15
IUPAC Namephenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane
SMILESCC(OC(C)P(c1ccccc1)c1cccnc1)P(c1ccccc1)c1cccnc1
InChIInChI=1S/C26H26N2OP2/c1-21(30(23-11-5-3-6-12-23)25-15-9-17-27-19-25)29-22(2)31(24-13-7-4-8-14-24)26-16-10-18-28-20-26/h3-22H,1-2H3
InChIKeyIUTZXPYAUUMQFQ-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185721
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996
diphenyl-propan-2-yl-pyridin-3-ylphosphanium
CID 153484681
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-[(dipyridin-3-ylphosphanylamino)-pyridin-3-ylphosphanyl]pyridine
CID 87734619
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
CID 159086200
1-diphenylphosphanylethyl propanoate
CID 150036156
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
methyl-diphenyl-pyridin-4-ylphosphanium
CID 4829632
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane?
The IUPAC name of phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane (CID 87929874) is phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane.
What is the SMILES notation for phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane?
The canonical SMILES for phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane is CC(OC(C)P(c1ccccc1)c1cccnc1)P(c1ccccc1)c1cccnc1.
What is the InChIKey of phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane?
The InChIKey is IUTZXPYAUUMQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OP2/c1-21(30(23-11-5-3-6-12-23)25-15-9-17-27-19-25)29-22(2)31(24-13-7-4-8-14-24)26-16-10-18-28-20-26/h3-22H,1-2H3.
What are the key properties of phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane?
phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane has a molecular weight of 444.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane is sourced from PubChem (CID 87929874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).