13,13,13-triphenyltridecylphosphanium bromide

C31H42BrP — CID 71354528

IUPAC13,13,13-triphenyltridecylphosphanium bromide
SMILES[Br-].[PH3+]CCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41P.BrH/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,1-8,18-19,26-27,32H2;1H
InChIKeyFBZIMPBIRDIKBI-UHFFFAOYSA-N
MW525.56 g/mol
LogP5.92
Rot. Bonds15

About 13,13,13-triphenyltridecylphosphanium bromide

13,13,13-triphenyltridecylphosphanium bromide (PubChem CID 71354528) has the molecular formula C31H42BrP and a molecular weight of 525.56 g/mol. Its IUPAC name is 13,13,13-triphenyltridecylphosphanium bromide.

Molecular Properties

Compound Name13,13,13-triphenyltridecylphosphanium bromide
PubChem CID71354528
Molecular FormulaC31H42BrP
Molecular Weight525.56 g/mol
Exact Mass524.22
IUPAC Name13,13,13-triphenyltridecylphosphanium bromide
SMILES[Br-].[PH3+]CCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H41P.BrH/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,1-8,18-19,26-27,32H2;1H
InChIKeyFBZIMPBIRDIKBI-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10,10,10-triphenyldecylphosphanium bromide
CID 69307814
14,14,14-triphenyltetradecylazanium bromide
CID 69305418
13,13,13-triphenyltridecan-1-ol
CID 150406449
10,10,10-triphenyldecylhydrazine
CID 150931504
CID 123237849
CID 123237849
bromo(9,9,9-triphenylnonyl)phosphane
CID 139644220
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
2,2,2-triphenylethylphosphanium chloride
CID 21496958
[phenyl(6,6,6-triphenylhexylphosphanyl)methyl]-(6,6,6-triphenylhexyl)phosphane;ruthenium
CID 175888686
methylidene(8,8,8-triphenyloctanoyl)phosphanium
CID 154191945
3,3,3-triphenylpropan-1-amine
CID 10125450

Frequently Asked Questions

What is the IUPAC name of 13,13,13-triphenyltridecylphosphanium bromide?
The IUPAC name of 13,13,13-triphenyltridecylphosphanium bromide (CID 71354528) is 13,13,13-triphenyltridecylphosphanium bromide.
What is the SMILES notation for 13,13,13-triphenyltridecylphosphanium bromide?
The canonical SMILES for 13,13,13-triphenyltridecylphosphanium bromide is [Br-].[PH3+]CCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 13,13,13-triphenyltridecylphosphanium bromide?
The InChIKey is FBZIMPBIRDIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41P.BrH/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,1-8,18-19,26-27,32H2;1H.
What are the key properties of 13,13,13-triphenyltridecylphosphanium bromide?
13,13,13-triphenyltridecylphosphanium bromide has a molecular weight of 525.56 g/mol, XLogP of 5.92, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,13-triphenyltridecylphosphanium bromide is sourced from PubChem (CID 71354528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).