2,6-bis(diphenylphosphoryl)pyridine;hydrate

C29H25NO3P2 — CID 139170088

IUPAC2,6-bis(diphenylphosphoryl)pyridine;hydrate
SMILESO.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H23NO2P2.H2O/c31-33(24-14-5-1-6-15-24,25-16-7-2-8-17-25)28-22-13-23-29(30-28)34(32,26-18-9-3-10-19-26)27-20-11-4-12-21-27;/h1-23H;1H2
InChIKeyGFAOJTPUAFJWQE-UHFFFAOYSA-N
MW497.47 g/mol
LogP3.54
Rot. Bonds6

About 2,6-bis(diphenylphosphoryl)pyridine;hydrate

2,6-bis(diphenylphosphoryl)pyridine;hydrate (PubChem CID 139170088) has the molecular formula C29H25NO3P2 and a molecular weight of 497.47 g/mol. Its IUPAC name is 2,6-bis(diphenylphosphoryl)pyridine;hydrate.

Molecular Properties

Compound Name2,6-bis(diphenylphosphoryl)pyridine;hydrate
PubChem CID139170088
Molecular FormulaC29H25NO3P2
Molecular Weight497.47 g/mol
Exact Mass497.13
IUPAC Name2,6-bis(diphenylphosphoryl)pyridine;hydrate
SMILESO.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H23NO2P2.H2O/c31-33(24-14-5-1-6-15-24,25-16-7-2-8-17-25)28-22-13-23-29(30-28)34(32,26-18-9-3-10-19-26)27-20-11-4-12-21-27;/h1-23H;1H2
InChIKeyGFAOJTPUAFJWQE-UHFFFAOYSA-N
XLogP3.54
TPSA78.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 53.54
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

2-diphenylphosphoryl-6-(6-diphenylphosphoryl-2-pyridinyl)pyridine
CID 58251118
4-N-(6-diphenylphosphoryl-2-pyridinyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58518338
2,6-bis(diphenylphosphoryl)-4-(3-phenylphenyl)pyridine
CID 88535795
2-diphenylphosphorylpyridine
CID 3496437
8-bromo-2-diphenylphosphorylquinoline
CID 155932211
diphenylphosphorylbenzene;terbium
CID 86595283
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
diphenylphosphorylbenzene;oxirene
CID 174881764
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diphenylphosphoryl)pyridine;hydrate?
The IUPAC name of 2,6-bis(diphenylphosphoryl)pyridine;hydrate (CID 139170088) is 2,6-bis(diphenylphosphoryl)pyridine;hydrate.
What is the SMILES notation for 2,6-bis(diphenylphosphoryl)pyridine;hydrate?
The canonical SMILES for 2,6-bis(diphenylphosphoryl)pyridine;hydrate is O.O=P(c1ccccc1)(c1ccccc1)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2,6-bis(diphenylphosphoryl)pyridine;hydrate?
The InChIKey is GFAOJTPUAFJWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2P2.H2O/c31-33(24-14-5-1-6-15-24,25-16-7-2-8-17-25)28-22-13-23-29(30-28)34(32,26-18-9-3-10-19-26)27-20-11-4-12-21-27;/h1-23H;1H2.
What are the key properties of 2,6-bis(diphenylphosphoryl)pyridine;hydrate?
2,6-bis(diphenylphosphoryl)pyridine;hydrate has a molecular weight of 497.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diphenylphosphoryl)pyridine;hydrate is sourced from PubChem (CID 139170088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).