tris(triphenylphosphane);hydrobromide

C54H46BrP3 — CID 172722268

IUPACtris(triphenylphosphane);hydrobromide
SMILESBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.BrH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;1H
InChIKeyGRFUBSCZPQQQEE-UHFFFAOYSA-N
MW867.79 g/mol
LogP10.91
Rot. Bonds9

About tris(triphenylphosphane);hydrobromide

tris(triphenylphosphane);hydrobromide (PubChem CID 172722268) has the molecular formula C54H46BrP3 and a molecular weight of 867.79 g/mol. Its IUPAC name is tris(triphenylphosphane);hydrobromide.

Molecular Properties

Compound Nametris(triphenylphosphane);hydrobromide
PubChem CID172722268
Molecular FormulaC54H46BrP3
Molecular Weight867.79 g/mol
Exact Mass866.20
IUPAC Nametris(triphenylphosphane);hydrobromide
SMILESBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.BrH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;1H
InChIKeyGRFUBSCZPQQQEE-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.79
LogP ≤ 510.91
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

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CID 87948921
CID 87948921
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Frequently Asked Questions

What is the IUPAC name of tris(triphenylphosphane);hydrobromide?
The IUPAC name of tris(triphenylphosphane);hydrobromide (CID 172722268) is tris(triphenylphosphane);hydrobromide.
What is the SMILES notation for tris(triphenylphosphane);hydrobromide?
The canonical SMILES for tris(triphenylphosphane);hydrobromide is Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris(triphenylphosphane);hydrobromide?
The InChIKey is GRFUBSCZPQQQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.BrH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;1H.
What are the key properties of tris(triphenylphosphane);hydrobromide?
tris(triphenylphosphane);hydrobromide has a molecular weight of 867.79 g/mol, XLogP of 10.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(triphenylphosphane);hydrobromide is sourced from PubChem (CID 172722268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).