[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane

C30H25NP2 — CID 15398914

IUPAC[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(c2ccccn2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25NP2/c1-5-15-25(16-6-1)32(26-17-7-2-8-18-26)30(29-23-13-14-24-31-29)33(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,30H
InChIKeyDBOQTXVSGUZHCU-UHFFFAOYSA-N
MW461.49 g/mol
LogP6.35
Rot. Bonds7

About [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane

[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane (PubChem CID 15398914) has the molecular formula C30H25NP2 and a molecular weight of 461.49 g/mol. Its IUPAC name is [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane.

Molecular Properties

Compound Name[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
PubChem CID15398914
Molecular FormulaC30H25NP2
Molecular Weight461.49 g/mol
Exact Mass461.15
IUPAC Name[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)C(c2ccccn2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H25NP2/c1-5-15-25(16-6-1)32(26-17-7-2-8-18-26)30(29-23-13-14-24-31-29)33(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,30H
InChIKeyDBOQTXVSGUZHCU-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon monoxide;[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane;propan-2-one;rhenium;bromide
CID 139136657
N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
CID 102285685
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 102294880
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-(1-chloroprop-2-ynyl)pyridine
CID 146397078
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
CID 101016472
ethane;2-(1-phenylethyl)pyridine
CID 143899083

Frequently Asked Questions

What is the IUPAC name of [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane?
The IUPAC name of [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane (CID 15398914) is [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane.
What is the SMILES notation for [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane?
The canonical SMILES for [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane is c1ccc(P(c2ccccc2)C(c2ccccn2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane?
The InChIKey is DBOQTXVSGUZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NP2/c1-5-15-25(16-6-1)32(26-17-7-2-8-18-26)30(29-23-13-14-24-31-29)33(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,30H.
What are the key properties of [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane?
[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane has a molecular weight of 461.49 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane is sourced from PubChem (CID 15398914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).