[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium

C35H29NP+ — CID 159901113

IUPAC[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium
SMILESCc1cc2ccccc2nc1-c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H29NP/c1-27-25-30-13-11-12-20-34(30)36-35(27)29-23-21-28(22-24-29)26-37(31-14-5-2-6-15-31,32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-25H,26H2,1H3/q+1
InChIKeyNVYWENDJSXBOLC-UHFFFAOYSA-N
MW494.60 g/mol
LogP7.70
Rot. Bonds6

About [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium

[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium (PubChem CID 159901113) has the molecular formula C35H29NP+ and a molecular weight of 494.60 g/mol. Its IUPAC name is [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium
PubChem CID159901113
Molecular FormulaC35H29NP+
Molecular Weight494.60 g/mol
Exact Mass494.20
IUPAC Name[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium
SMILESCc1cc2ccccc2nc1-c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H29NP/c1-27-25-30-13-11-12-20-34(30)36-35(27)29-23-21-28(22-24-29)26-37(31-14-5-2-6-15-31,32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-25H,26H2,1H3/q+1
InChIKeyNVYWENDJSXBOLC-UHFFFAOYSA-N
XLogP7.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;3-methyl-2-phenylquinoline
CID 174474394
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
CID 132542561
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
2-[4-(chloromethyl)phenyl]-5-fluoro-3-methylquinoline
CID 88992498
(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
CID 11732193
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
bromo-[4-[[3-(4-methylphenyl)quinoxalin-2-yl]methyl]phenyl]-diphenylphosphanium
CID 133064299

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium (CID 159901113) is [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium is Cc1cc2ccccc2nc1-c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium?
The InChIKey is NVYWENDJSXBOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NP/c1-27-25-30-13-11-12-20-34(30)36-35(27)29-23-21-28(22-24-29)26-37(31-14-5-2-6-15-31,32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-25H,26H2,1H3/q+1.
What are the key properties of [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium?
[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium has a molecular weight of 494.60 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 159901113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).