3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide

C20H13BrClOP — CID 122684935

IUPAC3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(Cl)cc2)=C(Br)c2ccccc21
InChIInChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H
InChIKeyFBBZAFAFHICSED-UHFFFAOYSA-N
MW415.65 g/mol
LogP5.89
Rot. Bonds2

About 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide

3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide (PubChem CID 122684935) has the molecular formula C20H13BrClOP and a molecular weight of 415.65 g/mol. Its IUPAC name is 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide.

Molecular Properties

Compound Name3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
PubChem CID122684935
Molecular FormulaC20H13BrClOP
Molecular Weight415.65 g/mol
Exact Mass413.96
IUPAC Name3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
SMILESO=P1(c2ccccc2)C(c2ccc(Cl)cc2)=C(Br)c2ccccc21
InChIInChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H
InChIKeyFBBZAFAFHICSED-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
3,4-bis(4-chlorophenyl)-1-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 71739226
4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
CID 102499198
(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
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2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
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(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide
CID 132548466
7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
CID 101475124
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
3-chloro-5,5,10-triphenylbenzo[b][1,4]benzothiaphosphinine 10-oxide
CID 139306224
3-methyl-1-phenyl-2-propylphosphindole 1-oxide
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[2-(4-chlorophenyl)phenyl]-diphenylborane
CID 141204826
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The IUPAC name of 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide (CID 122684935) is 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide.
What is the SMILES notation for 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The canonical SMILES for 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide is O=P1(c2ccccc2)C(c2ccc(Cl)cc2)=C(Br)c2ccccc21.
What is the InChIKey of 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The InChIKey is FBBZAFAFHICSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H.
What are the key properties of 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide has a molecular weight of 415.65 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide is sourced from PubChem (CID 122684935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).