dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane

C19H17Br2P — CID 100926580

IUPACdibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
SMILESCc1ccc(P(Br)(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17Br2P/c1-16-12-14-19(15-13-16)22(20,21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyFHGABUIKTJIZKE-UHFFFAOYSA-N
MW436.13 g/mol
LogP5.44
Rot. Bonds3

About dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane

dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane (PubChem CID 100926580) has the molecular formula C19H17Br2P and a molecular weight of 436.13 g/mol. Its IUPAC name is dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namedibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
PubChem CID100926580
Molecular FormulaC19H17Br2P
Molecular Weight436.13 g/mol
Exact Mass433.94
IUPAC Namedibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
SMILESCc1ccc(P(Br)(Br)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H17Br2P/c1-16-12-14-19(15-13-16)22(20,21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyFHGABUIKTJIZKE-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.13
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(1,4-xylene)
CID 159472747
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
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methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
bromomethane;ethane;toluene
CID 162174228
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
toluene;hydrate
CID 22272177
ethane;toluene
CID 91350799
iridium;toluene
CID 160574470
toluene;dihydrochloride
CID 66712893
aluminum toluene
CID 21283935

Frequently Asked Questions

What is the IUPAC name of dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane?
The IUPAC name of dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane (CID 100926580) is dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane.
What is the SMILES notation for dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane?
The canonical SMILES for dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane is Cc1ccc(P(Br)(Br)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane?
The InChIKey is FHGABUIKTJIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2P/c1-16-12-14-19(15-13-16)22(20,21,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane?
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane has a molecular weight of 436.13 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 100926580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).