10,10,10-triphenyldecylphosphanium bromide

C28H36BrP — CID 69307814

IUPAC10,10,10-triphenyldecylphosphanium bromide
SMILES[Br-].[PH3+]CCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35P.BrH/c29-24-16-5-3-1-2-4-15-23-28(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24,29H2;1H
InChIKeyXZTDYOOCHRZIDI-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.75
Rot. Bonds12

About 10,10,10-triphenyldecylphosphanium bromide

10,10,10-triphenyldecylphosphanium bromide (PubChem CID 69307814) has the molecular formula C28H36BrP and a molecular weight of 483.47 g/mol. Its IUPAC name is 10,10,10-triphenyldecylphosphanium bromide.

Molecular Properties

Compound Name10,10,10-triphenyldecylphosphanium bromide
PubChem CID69307814
Molecular FormulaC28H36BrP
Molecular Weight483.47 g/mol
Exact Mass482.17
IUPAC Name10,10,10-triphenyldecylphosphanium bromide
SMILES[Br-].[PH3+]CCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35P.BrH/c29-24-16-5-3-1-2-4-15-23-28(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24,29H2;1H
InChIKeyXZTDYOOCHRZIDI-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of 10,10,10-triphenyldecylphosphanium bromide?
The IUPAC name of 10,10,10-triphenyldecylphosphanium bromide (CID 69307814) is 10,10,10-triphenyldecylphosphanium bromide.
What is the SMILES notation for 10,10,10-triphenyldecylphosphanium bromide?
The canonical SMILES for 10,10,10-triphenyldecylphosphanium bromide is [Br-].[PH3+]CCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10,10,10-triphenyldecylphosphanium bromide?
The InChIKey is XZTDYOOCHRZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35P.BrH/c29-24-16-5-3-1-2-4-15-23-28(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24,29H2;1H.
What are the key properties of 10,10,10-triphenyldecylphosphanium bromide?
10,10,10-triphenyldecylphosphanium bromide has a molecular weight of 483.47 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-triphenyldecylphosphanium bromide is sourced from PubChem (CID 69307814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).