tris(2-bromophenyl)phosphane

C18H12Br3P — CID 22168456

IUPACtris(2-bromophenyl)phosphane
SMILESBrc1ccccc1P(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C18H12Br3P/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyPDINTDJSHHRBKF-UHFFFAOYSA-N
MW498.98 g/mol
LogP5.73
Rot. Bonds3

About tris(2-bromophenyl)phosphane

tris(2-bromophenyl)phosphane (PubChem CID 22168456) has the molecular formula C18H12Br3P and a molecular weight of 498.98 g/mol. Its IUPAC name is tris(2-bromophenyl)phosphane.

Molecular Properties

Compound Nametris(2-bromophenyl)phosphane
PubChem CID22168456
Molecular FormulaC18H12Br3P
Molecular Weight498.98 g/mol
Exact Mass495.82
IUPAC Nametris(2-bromophenyl)phosphane
SMILESBrc1ccccc1P(c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C18H12Br3P/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyPDINTDJSHHRBKF-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.98
LogP ≤ 55.73
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 tris(2-bromophenyl)phosphane?
The IUPAC name of tris(2-bromophenyl)phosphane (CID 22168456) is tris(2-bromophenyl)phosphane.
What is the SMILES notation for tris(2-bromophenyl)phosphane?
The canonical SMILES for tris(2-bromophenyl)phosphane is Brc1ccccc1P(c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of tris(2-bromophenyl)phosphane?
The InChIKey is PDINTDJSHHRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3P/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of tris(2-bromophenyl)phosphane?
tris(2-bromophenyl)phosphane has a molecular weight of 498.98 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-bromophenyl)phosphane is sourced from PubChem (CID 22168456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).