4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine

C41H31NO2P2 — CID 137420028

IUPAC4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C41H31NO2P2/c43-45(34-19-8-2-9-20-34,35-21-10-3-11-22-35)39-27-16-28-40(41(39)33-29-30-42-38(31-33)32-17-6-1-7-18-32)46(44,36-23-12-4-13-24-36)37-25-14-5-15-26-37/h1-31H
InChIKeyCCSRKOAIHYPBQU-UHFFFAOYSA-N
MW631.65 g/mol
LogP7.69
Rot. Bonds8

About 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine

4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine (PubChem CID 137420028) has the molecular formula C41H31NO2P2 and a molecular weight of 631.65 g/mol. Its IUPAC name is 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
PubChem CID137420028
Molecular FormulaC41H31NO2P2
Molecular Weight631.65 g/mol
Exact Mass631.18
IUPAC Name4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C41H31NO2P2/c43-45(34-19-8-2-9-20-34,35-21-10-3-11-22-35)39-27-16-28-40(41(39)33-29-30-42-38(31-33)32-17-6-1-7-18-32)46(44,36-23-12-4-13-24-36)37-25-14-5-15-26-37/h1-31H
InChIKeyCCSRKOAIHYPBQU-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-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;3-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;4-[2,6-bis(diphenylphosphoryl)phenyl]pyridine;2-[2,6-bis(diphenylphosphoryl)phenyl]pyrimidine
CID 158946207
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
CID 102144285
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
[3-diphenylphosphinothioyl-2-(2,6-diphenyl-4-pyridinyl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 137420118
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine (CID 137420028) is 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine is O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccnc(-c2ccccc2)c1.
What is the InChIKey of 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
The InChIKey is CCSRKOAIHYPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NO2P2/c43-45(34-19-8-2-9-20-34,35-21-10-3-11-22-35)39-27-16-28-40(41(39)33-29-30-42-38(31-33)32-17-6-1-7-18-32)46(44,36-23-12-4-13-24-36)37-25-14-5-15-26-37/h1-31H.
What are the key properties of 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine?
4-[2,6-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 4-[2,6-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 137420028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).