dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane

C18H14Br3P — CID 175455396

IUPACdibromo-(2-bromophenyl)-diphenyl-λ5-phosphane
SMILESBrc1ccccc1P(Br)(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14Br3P/c19-17-13-7-8-14-18(17)22(20,21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyBQPMTRCNTLASOJ-UHFFFAOYSA-N
MW501.00 g/mol
LogP5.90
Rot. Bonds3

About dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane

dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane (PubChem CID 175455396) has the molecular formula C18H14Br3P and a molecular weight of 501.00 g/mol. Its IUPAC name is dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namedibromo-(2-bromophenyl)-diphenyl-λ5-phosphane
PubChem CID175455396
Molecular FormulaC18H14Br3P
Molecular Weight501.00 g/mol
Exact Mass497.84
IUPAC Namedibromo-(2-bromophenyl)-diphenyl-λ5-phosphane
SMILESBrc1ccccc1P(Br)(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14Br3P/c19-17-13-7-8-14-18(17)22(20,21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyBQPMTRCNTLASOJ-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane?
The IUPAC name of dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane (CID 175455396) is dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane.
What is the SMILES notation for dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane?
The canonical SMILES for dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane is Brc1ccccc1P(Br)(Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane?
The InChIKey is BQPMTRCNTLASOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br3P/c19-17-13-7-8-14-18(17)22(20,21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane?
dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane has a molecular weight of 501.00 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 175455396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).