8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate

C24H16F3N3O3S — CID 139137626

IUPAC8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1cc(-c2cccc3cccnc23)nc(-c2cccc3ccc[nH+]c23)c1
InChIInChI=1S/C23H15N3.CHF3O3S/c1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)
InChIKeyUATYOVMSZIQDLR-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.98
Rot. Bonds2

About 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate

8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate (PubChem CID 139137626) has the molecular formula C24H16F3N3O3S and a molecular weight of 483.47 g/mol. Its IUPAC name is 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate.

Molecular Properties

Compound Name8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate
PubChem CID139137626
Molecular FormulaC24H16F3N3O3S
Molecular Weight483.47 g/mol
Exact Mass483.09
IUPAC Name8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1cc(-c2cccc3cccnc23)nc(-c2cccc3ccc[nH+]c23)c1
InChIInChI=1S/C23H15N3.CHF3O3S/c1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)
InChIKeyUATYOVMSZIQDLR-UHFFFAOYSA-N
XLogP4.98
TPSA97.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate with MolForge

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Related Compounds

bis(8-(6-quinolin-8-yl-2-pyridinyl)quinoline);ruthenium(2+);dihexafluorophosphate
CID 139126602
oxygen(2-);1,10-phenanthroline;vanadium(4+);sulfate
CID 11595345
8-pyridin-2-ylquinoline
CID 10982041
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
6-quinolin-8-ylpyridin-2-amine
CID 81223969
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
(2-quinolin-8-ylphenyl) trifluoromethanesulfonate
CID 87290128
acetonitrile;ethoxyethane;manganese(2+);2-pyridin-2-yl-6-[2-[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]pyridine;bis(trifluoromethanesulfonate)
CID 139178913
dipotassium;quinolin-8-ol;sulfate
CID 24820574
bis(1,10-phenanthroline);bis(9H-pyrido[3,4-b]indole);ruthenium(2+);bis(trifluoromethanesulfonate)
CID 53494986
2-carboxyphenolate;1,10-phenanthrolin-10-ium
CID 54696347
2-[carboxylatomethyl(carboxymethyl)azaniumyl]acetate;1,10-phenanthrolin-10-ium;hydrate
CID 139064950

Frequently Asked Questions

What is the IUPAC name of 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate?
The IUPAC name of 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate (CID 139137626) is 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate.
What is the SMILES notation for 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate?
The canonical SMILES for 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.c1cc(-c2cccc3cccnc23)nc(-c2cccc3ccc[nH+]c23)c1.
What is the InChIKey of 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate?
The InChIKey is UATYOVMSZIQDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3.CHF3O3S/c1-6-16-8-4-14-24-22(16)18(10-1)20-12-3-13-21(26-20)19-11-2-7-17-9-5-15-25-23(17)19;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7).
What are the key properties of 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate?
8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate has a molecular weight of 483.47 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate is sourced from PubChem (CID 139137626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).