2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine

C41H31NO2P2 — CID 88535795

IUPAC2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C41H31NO2P2/c43-45(36-21-8-2-9-22-36,37-23-10-3-11-24-37)40-30-35(34-20-16-19-33(29-34)32-17-6-1-7-18-32)31-41(42-40)46(44,38-25-12-4-13-26-38)39-27-14-5-15-28-39/h1-31H
InChIKeyHEBUMSZJMXKARI-UHFFFAOYSA-N
MW631.65 g/mol
LogP7.69
Rot. Bonds8

About 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine

2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine (PubChem CID 88535795) has the molecular formula C41H31NO2P2 and a molecular weight of 631.65 g/mol. Its IUPAC name is 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine
PubChem CID88535795
Molecular FormulaC41H31NO2P2
Molecular Weight631.65 g/mol
Exact Mass631.18
IUPAC Name2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C41H31NO2P2/c43-45(36-21-8-2-9-22-36,37-23-10-3-11-24-37)40-30-35(34-20-16-19-33(29-34)32-17-6-1-7-18-32)31-41(42-40)46(44,38-25-12-4-13-26-38)39-27-14-5-15-28-39/h1-31H
InChIKeyHEBUMSZJMXKARI-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

1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
diphenylphosphorylbenzene;terbium
CID 86595283
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine?
The IUPAC name of 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine (CID 88535795) is 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine?
The canonical SMILES for 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine is O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccc(-c3ccccc3)c2)cc(P(=O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine?
The InChIKey is HEBUMSZJMXKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO2P2/c43-45(36-21-8-2-9-22-36,37-23-10-3-11-24-37)40-30-35(34-20-16-19-33(29-34)32-17-6-1-7-18-32)31-41(42-40)46(44,38-25-12-4-13-26-38)39-27-14-5-15-28-39/h1-31H.
What are the key properties of 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine?
2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine 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 2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine is sourced from PubChem (CID 88535795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).