[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium

C36H28FNP+ — CID 87095849

IUPAC[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
SMILESFc1ccc(-c2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C36H28FNP/c37-28-24-22-26(23-25-28)34-32-18-10-11-19-33(32)38-35(27-20-21-27)36(34)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,22-25,27H,20-21H2/q+1
InChIKeyGFJLTSROIAPIMK-UHFFFAOYSA-N
MW524.60 g/mol
LogP7.54
Rot. Bonds6

About [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium

[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium (PubChem CID 87095849) has the molecular formula C36H28FNP+ and a molecular weight of 524.60 g/mol. Its IUPAC name is [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
PubChem CID87095849
Molecular FormulaC36H28FNP+
Molecular Weight524.60 g/mol
Exact Mass524.19
IUPAC Name[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
SMILESFc1ccc(-c2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C36H28FNP/c37-28-24-22-26(23-25-28)34-32-18-10-11-19-33(32)38-35(27-20-21-27)36(34)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,22-25,27H,20-21H2/q+1
InChIKeyGFJLTSROIAPIMK-UHFFFAOYSA-N
XLogP7.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 57.54
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

2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
CID 123797068
2-cyclopropyl-4-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)quinoline
CID 87120778
(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 66714892
2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065
bromo-[[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methyl]-triethoxy-λ5-phosphane
CID 142709376
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119
(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6366718
calcium;bis((E,1R,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1,3,5-trihydroxyhept-6-en-1-olate);pentahydrate
CID 140809264
calcium;(E,3R,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 173005876

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium?
The IUPAC name of [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium (CID 87095849) is [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium?
The canonical SMILES for [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium is Fc1ccc(-c2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium?
The InChIKey is GFJLTSROIAPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FNP/c37-28-24-22-26(23-25-28)34-32-18-10-11-19-33(32)38-35(27-20-21-27)36(34)39(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31/h1-19,22-25,27H,20-21H2/q+1.
What are the key properties of [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium?
[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium has a molecular weight of 524.60 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 87095849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).