5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine

C41H31NO2P2 — CID 137420215

IUPAC5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)nc2)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C41H31NO2P2/c43-45(34-18-8-2-9-19-34,35-20-10-3-11-21-35)38-27-28-39(33-26-29-40(42-31-33)32-16-6-1-7-17-32)41(30-38)46(44,36-22-12-4-13-23-36)37-24-14-5-15-25-37/h1-31H
InChIKeyWKXFPEJJJQKZLJ-UHFFFAOYSA-N
MW631.65 g/mol
LogP7.69
Rot. Bonds8

About 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine

5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine (PubChem CID 137420215) has the molecular formula C41H31NO2P2 and a molecular weight of 631.65 g/mol. Its IUPAC name is 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
PubChem CID137420215
Molecular FormulaC41H31NO2P2
Molecular Weight631.65 g/mol
Exact Mass631.18
IUPAC Name5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)nc2)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C41H31NO2P2/c43-45(34-18-8-2-9-19-34,35-20-10-3-11-21-35)38-27-28-39(33-26-29-40(42-31-33)32-16-6-1-7-17-32)41(30-38)46(44,36-22-12-4-13-23-36)37-24-14-5-15-25-37/h1-31H
InChIKeyWKXFPEJJJQKZLJ-UHFFFAOYSA-N
XLogP7.69
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.65
LogP ≤ 57.69
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

4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
CID 140732533
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
[2-[2,6-bis(2-diphenylphosphinothioylphenyl)-4-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;2-[2,4-bis(diphenylphosphoryl)phenyl]-5-phenylpyrimidine;[2-[4,6-bis(2-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane;[3-diphenylphosphinothioyl-4-(3-phenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 159710218
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol
CID 143781569
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The IUPAC name of 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine (CID 137420215) is 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The canonical SMILES for 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccccc3)nc2)c(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The InChIKey is WKXFPEJJJQKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO2P2/c43-45(34-18-8-2-9-19-34,35-20-10-3-11-21-35)38-27-28-39(33-26-29-40(42-31-33)32-16-6-1-7-17-32)41(30-38)46(44,36-22-12-4-13-23-36)37-24-14-5-15-25-37/h1-31H.
What are the key properties of 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine has a molecular weight of 631.65 g/mol, XLogP of 7.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 137420215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).