triphenyl(quinolin-8-ylmethyl)phosphanium bromide

C28H23BrNP — CID 90668875

IUPACtriphenyl(quinolin-8-ylmethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NP.BrH/c1-4-15-25(16-5-1)30(26-17-6-2-7-18-26,27-19-8-3-9-20-27)22-24-13-10-12-23-14-11-21-29-28(23)24;/h1-21H,22H2;1H/q+1;/p-1
InChIKeyPPNHFAJQVMLCOT-UHFFFAOYSA-M
MW484.38 g/mol
LogP2.73
Rot. Bonds5

About triphenyl(quinolin-8-ylmethyl)phosphanium bromide

triphenyl(quinolin-8-ylmethyl)phosphanium bromide (PubChem CID 90668875) has the molecular formula C28H23BrNP and a molecular weight of 484.38 g/mol. Its IUPAC name is triphenyl(quinolin-8-ylmethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(quinolin-8-ylmethyl)phosphanium bromide
PubChem CID90668875
Molecular FormulaC28H23BrNP
Molecular Weight484.38 g/mol
Exact Mass483.08
IUPAC Nametriphenyl(quinolin-8-ylmethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23NP.BrH/c1-4-15-25(16-5-1)30(26-17-6-2-7-18-26,27-19-8-3-9-20-27)22-24-13-10-12-23-14-11-21-29-28(23)24;/h1-21H,22H2;1H/q+1;/p-1
InChIKeyPPNHFAJQVMLCOT-UHFFFAOYSA-M
XLogP2.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(quinolin-8-ylmethyl)phosphanium bromide?
The IUPAC name of triphenyl(quinolin-8-ylmethyl)phosphanium bromide (CID 90668875) is triphenyl(quinolin-8-ylmethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(quinolin-8-ylmethyl)phosphanium bromide?
The canonical SMILES for triphenyl(quinolin-8-ylmethyl)phosphanium bromide is [Br-].c1ccc([P+](Cc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(quinolin-8-ylmethyl)phosphanium bromide?
The InChIKey is PPNHFAJQVMLCOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H23NP.BrH/c1-4-15-25(16-5-1)30(26-17-6-2-7-18-26,27-19-8-3-9-20-27)22-24-13-10-12-23-14-11-21-29-28(23)24;/h1-21H,22H2;1H/q+1;/p-1.
What are the key properties of triphenyl(quinolin-8-ylmethyl)phosphanium bromide?
triphenyl(quinolin-8-ylmethyl)phosphanium bromide has a molecular weight of 484.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(quinolin-8-ylmethyl)phosphanium bromide is sourced from PubChem (CID 90668875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).