diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane

C23H19N2P — CID 90058250

IUPACdiphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
SMILESc1ccc(P(Cc2ccnc(-c3ccccn3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H19N2P/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)18-19-14-16-25-23(17-19)22-13-7-8-15-24-22/h1-17H,18H2
InChIKeyCYCBMMGYIBPZJD-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.78
Rot. Bonds5

About diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane

diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane (PubChem CID 90058250) has the molecular formula C23H19N2P and a molecular weight of 354.39 g/mol. Its IUPAC name is diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
PubChem CID90058250
Molecular FormulaC23H19N2P
Molecular Weight354.39 g/mol
Exact Mass354.13
IUPAC Namediphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
SMILESc1ccc(P(Cc2ccnc(-c3ccccn3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H19N2P/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)18-19-14-16-25-23(17-19)22-13-7-8-15-24-22/h1-17H,18H2
InChIKeyCYCBMMGYIBPZJD-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.78
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 diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane?
The IUPAC name of diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane (CID 90058250) is diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane.
What is the SMILES notation for diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane?
The canonical SMILES for diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane is c1ccc(P(Cc2ccnc(-c3ccccn3)c2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane?
The InChIKey is CYCBMMGYIBPZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2P/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)18-19-14-16-25-23(17-19)22-13-7-8-15-24-22/h1-17H,18H2.
What are the key properties of diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane?
diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane has a molecular weight of 354.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane is sourced from PubChem (CID 90058250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).