[bromo(phenyl)phosphoryl]benzene;dibenzothiophene

C24H18BrOPS — CID 174853567

IUPAC[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
SMILESO=P(Br)(c1ccccc1)c1ccccc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H10BrOP.C12H8S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-10H;1-8H
InChIKeyHAXJTJUGNXPUAY-UHFFFAOYSA-N
MW465.35 g/mol
LogP7.36
Rot. Bonds2

About [bromo(phenyl)phosphoryl]benzene;dibenzothiophene

[bromo(phenyl)phosphoryl]benzene;dibenzothiophene (PubChem CID 174853567) has the molecular formula C24H18BrOPS and a molecular weight of 465.35 g/mol. Its IUPAC name is [bromo(phenyl)phosphoryl]benzene;dibenzothiophene.

Molecular Properties

Compound Name[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
PubChem CID174853567
Molecular FormulaC24H18BrOPS
Molecular Weight465.35 g/mol
Exact Mass464.00
IUPAC Name[bromo(phenyl)phosphoryl]benzene;dibenzothiophene
SMILESO=P(Br)(c1ccccc1)c1ccccc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H10BrOP.C12H8S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-10H;1-8H
InChIKeyHAXJTJUGNXPUAY-UHFFFAOYSA-N
XLogP7.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
CID 162233710
3-[(4-bromophenyl)-dibenzothiophen-3-ylphosphoryl]dibenzothiophene
CID 169086317
bis(dibenzothiophene);ethane
CID 143921746
2-diphenylphosphoryl-3-(2-diphenylphosphoryl-1-benzothiophen-3-yl)-1-benzothiophene
CID 10556356
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
dibenzothiophene-2-carbaldehyde
CID 641360
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)dibenzothiophene
CID 163943739
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
N-methyldibenzothiophen-2-amine
CID 138617905
3-diphenylphosphoryl-2-phenylthiochromen-4-one
CID 162409367

Frequently Asked Questions

What is the IUPAC name of [bromo(phenyl)phosphoryl]benzene;dibenzothiophene?
The IUPAC name of [bromo(phenyl)phosphoryl]benzene;dibenzothiophene (CID 174853567) is [bromo(phenyl)phosphoryl]benzene;dibenzothiophene.
What is the SMILES notation for [bromo(phenyl)phosphoryl]benzene;dibenzothiophene?
The canonical SMILES for [bromo(phenyl)phosphoryl]benzene;dibenzothiophene is O=P(Br)(c1ccccc1)c1ccccc1.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of [bromo(phenyl)phosphoryl]benzene;dibenzothiophene?
The InChIKey is HAXJTJUGNXPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrOP.C12H8S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-10H;1-8H.
What are the key properties of [bromo(phenyl)phosphoryl]benzene;dibenzothiophene?
[bromo(phenyl)phosphoryl]benzene;dibenzothiophene has a molecular weight of 465.35 g/mol, XLogP of 7.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(phenyl)phosphoryl]benzene;dibenzothiophene is sourced from PubChem (CID 174853567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).