[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium

C40H30F2N2P+ — CID 163197210

IUPAC[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium
SMILESCc1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30F2N2P/c1-28-40(27-45(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35)44-39-26-37(30-19-23-32(42)24-20-30)36(25-38(39)43-28)29-17-21-31(41)22-18-29/h2-26H,27H2,1H3/q+1
InChIKeyLYULFFQLAUINFK-UHFFFAOYSA-N
MW607.66 g/mol
LogP9.04
Rot. Bonds7

About [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium

[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium (PubChem CID 163197210) has the molecular formula C40H30F2N2P+ and a molecular weight of 607.66 g/mol. Its IUPAC name is [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium
PubChem CID163197210
Molecular FormulaC40H30F2N2P+
Molecular Weight607.66 g/mol
Exact Mass607.21
IUPAC Name[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium
SMILESCc1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H30F2N2P/c1-28-40(27-45(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35)44-39-26-37(30-19-23-32(42)24-20-30)36(25-38(39)43-28)29-17-21-31(41)22-18-29/h2-26H,27H2,1H3/q+1
InChIKeyLYULFFQLAUINFK-UHFFFAOYSA-N
XLogP9.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.66
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride
CID 90016889
2,3-dimethyl-6,7-diphenylquinoxaline
CID 163197223
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
CID 24742720
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
[4-(3-methylquinolin-2-yl)phenyl]methyl-triphenylphosphanium
CID 159901113
[2-(ethylsulfonylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methyl-triphenylphosphanium
CID 87105293
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 138549634
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
CID 19867626
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
CID 15125346
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591

Frequently Asked Questions

What is the IUPAC name of [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium?
The IUPAC name of [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium (CID 163197210) is [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium?
The canonical SMILES for [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium is Cc1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium?
The InChIKey is LYULFFQLAUINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F2N2P/c1-28-40(27-45(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35)44-39-26-37(30-19-23-32(42)24-20-30)36(25-38(39)43-28)29-17-21-31(41)22-18-29/h2-26H,27H2,1H3/q+1.
What are the key properties of [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium?
[6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium has a molecular weight of 607.66 g/mol, XLogP of 9.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-bis(4-fluorophenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 163197210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).