3,3,3-triphenylpropylphosphane;hydrobromide

C21H22BrP — CID 118389375

IUPAC3,3,3-triphenylpropylphosphane;hydrobromide
SMILESBr.PCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21P.BrH/c22-17-16-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H
InChIKeyJNGOMLQBEBRITP-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.86
Rot. Bonds5

About 3,3,3-triphenylpropylphosphane;hydrobromide

3,3,3-triphenylpropylphosphane;hydrobromide (PubChem CID 118389375) has the molecular formula C21H22BrP and a molecular weight of 385.29 g/mol. Its IUPAC name is 3,3,3-triphenylpropylphosphane;hydrobromide.

Molecular Properties

Compound Name3,3,3-triphenylpropylphosphane;hydrobromide
PubChem CID118389375
Molecular FormulaC21H22BrP
Molecular Weight385.29 g/mol
Exact Mass384.06
IUPAC Name3,3,3-triphenylpropylphosphane;hydrobromide
SMILESBr.PCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21P.BrH/c22-17-16-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H
InChIKeyJNGOMLQBEBRITP-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
3,3,3-triphenylpropan-1-amine
CID 10125450
CID 123237849
CID 123237849
2,2,2-triphenylethylphosphanium chloride
CID 21496958
4,4,4-triphenylbutane-1,1-diamine
CID 70294591
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
13,13,13-triphenyltridecan-1-ol
CID 150406449
2,2,2-triphenylethylsulfanium bromide
CID 172851267
N,N-bis(1,1-diphenyl-2-phosphanylethyl)-1,1-diphenyl-2-phosphanylethanamine
CID 23504438
4,4,4-triphenylbutanoyl chloride
CID 15254182

Frequently Asked Questions

What is the IUPAC name of 3,3,3-triphenylpropylphosphane;hydrobromide?
The IUPAC name of 3,3,3-triphenylpropylphosphane;hydrobromide (CID 118389375) is 3,3,3-triphenylpropylphosphane;hydrobromide.
What is the SMILES notation for 3,3,3-triphenylpropylphosphane;hydrobromide?
The canonical SMILES for 3,3,3-triphenylpropylphosphane;hydrobromide is Br.PCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3,3-triphenylpropylphosphane;hydrobromide?
The InChIKey is JNGOMLQBEBRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P.BrH/c22-17-16-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H.
What are the key properties of 3,3,3-triphenylpropylphosphane;hydrobromide?
3,3,3-triphenylpropylphosphane;hydrobromide has a molecular weight of 385.29 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-triphenylpropylphosphane;hydrobromide is sourced from PubChem (CID 118389375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).