tris(4-bromophenyl)phosphane

C18H12Br3P — CID 4244444

IUPACtris(4-bromophenyl)phosphane
SMILESBrc1ccc(P(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12Br3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKeyGMRACXJRJFIBHU-UHFFFAOYSA-N
MW498.98 g/mol
LogP5.73
Rot. Bonds3

About tris(4-bromophenyl)phosphane

tris(4-bromophenyl)phosphane (PubChem CID 4244444) has the molecular formula C18H12Br3P and a molecular weight of 498.98 g/mol. Its IUPAC name is tris(4-bromophenyl)phosphane.

Molecular Properties

Compound Nametris(4-bromophenyl)phosphane
PubChem CID4244444
Molecular FormulaC18H12Br3P
Molecular Weight498.98 g/mol
Exact Mass495.82
IUPAC Nametris(4-bromophenyl)phosphane
SMILESBrc1ccc(P(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H12Br3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKeyGMRACXJRJFIBHU-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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Related Compounds

Tris(4-bromophenyl)antimony
CID 4658499
(3-Bromopropyl)triphenylphosphonium bromide
CID 2723862
Triphenylphosphine dibromide
CID 70579
(2-Bromoethyl)(triphenyl)phosphanium bromide
CID 22210408
Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)
CID 2733422
(4-Bromobutyl)triphenylphosphanium bromide
CID 2733851
(4-Bromophenyl)diphenylphosphine
CID 69773
(2-Bromophenyl)diphenylphosphine
CID 112836
(4-Bromo-2-butenyl)triphenylphosphonium bromide
CID 5705621
(Bromomethyl)triphenylphosphonium bromide
CID 2733423
Dichlorotris(4-bromophenyl)antimony
CID 3291597
Tris(4-bromophenyl)silane
CID 3427866

Frequently Asked Questions

What is the IUPAC name of tris(4-bromophenyl)phosphane?
The IUPAC name of tris(4-bromophenyl)phosphane (CID 4244444) is tris(4-bromophenyl)phosphane.
What is the SMILES notation for tris(4-bromophenyl)phosphane?
The canonical SMILES for tris(4-bromophenyl)phosphane is Brc1ccc(P(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of tris(4-bromophenyl)phosphane?
The InChIKey is GMRACXJRJFIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H.
What are the key properties of tris(4-bromophenyl)phosphane?
tris(4-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(4-bromophenyl)phosphane is sourced from PubChem (CID 4244444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).