3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide

C31H22BrNO2P2 — CID 164676773

IUPAC3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide
SMILESO=P(C1=C(c2ccc(Br)cn2)c2ccccc2P1(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22BrNO2P2/c32-23-20-21-28(33-22-23)30-27-18-10-11-19-29(27)37(35,26-16-8-3-9-17-26)31(30)36(34,24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-22H
InChIKeyVHXMIUVYQNELCZ-UHFFFAOYSA-N
MW582.37 g/mol
LogP6.90
Rot. Bonds5

About 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide

3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide (PubChem CID 164676773) has the molecular formula C31H22BrNO2P2 and a molecular weight of 582.37 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide
PubChem CID164676773
Molecular FormulaC31H22BrNO2P2
Molecular Weight582.37 g/mol
Exact Mass581.03
IUPAC Name3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide
SMILESO=P(C1=C(c2ccc(Br)cn2)c2ccccc2P1(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H22BrNO2P2/c32-23-20-21-28(33-22-23)30-27-18-10-11-19-29(27)37(35,26-16-8-3-9-17-26)31(30)36(34,24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-22H
InChIKeyVHXMIUVYQNELCZ-UHFFFAOYSA-N
XLogP6.90
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.37
LogP ≤ 56.90
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-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
Rac-3-((Diphenylphosphoryl)(Phenyl)Methyl)Pyridine
CID 71520576
2-[Bis(diphenylphosphoryl)methyl]pyridine
CID 1900770
5-Bromo-2-phenylpyridine
CID 2762862
N-(4-bromophenyl)-N-[phenyl(4-pyridinyl)methylene]amine
CID 668067
2-(4-Bromophenyl)-5-cyclohexylpyridine
CID 767868
2-[2-(4-Bromophenyl)phenyl]pyridine
CID 102296511
2-(4-Bromophenyl)-5-(4-pentylphenyl)pyridine
CID 3126211
2-(4-Bromophenyl)-5-heptylpyridine
CID 3126212
4-Diphenylphosphoryl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 162407006
3-[(E)-2-(4-bromophenyl)ethenyl]-1-methyl-2,5-diphenylpyridin-1-ium iodide
CID 177643203
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-2,5-diphenylpyridin-1-ium iodide
CID 177656488

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide (CID 164676773) is 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide is O=P(C1=C(c2ccc(Br)cn2)c2ccccc2P1(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide?
The InChIKey is VHXMIUVYQNELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BrNO2P2/c32-23-20-21-28(33-22-23)30-27-18-10-11-19-29(27)37(35,26-16-8-3-9-17-26)31(30)36(34,24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-22H.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide?
3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide has a molecular weight of 582.37 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-diphenylphosphoryl-1-phenylphosphindole 1-oxide is sourced from PubChem (CID 164676773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).