2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth

C30H23BiF6N2O6S2 — CID 138974233

IUPAC2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
SMILESO=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3C6H5.2CHF3O3S.Bi/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;3*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyGMAGKWXPDBUDCO-UHFFFAOYSA-L
MW894.62 g/mol
LogP4.98
Rot. Bonds8

About 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth

2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth (PubChem CID 138974233) has the molecular formula C30H23BiF6N2O6S2 and a molecular weight of 894.62 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
PubChem CID138974233
Molecular FormulaC30H23BiF6N2O6S2
Molecular Weight894.62 g/mol
Exact Mass894.07
IUPAC Name2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
SMILESO=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3C6H5.2CHF3O3S.Bi/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;3*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyGMAGKWXPDBUDCO-UHFFFAOYSA-L
XLogP4.98
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500894.62
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Phenyl-di(pyridin-1-ium-1-yl)-lambda3-iodane;bis(trifluoromethanesulfonate)
CID 10941368
N,N'-difluoro-2,2'-bipyridinium bis(trifluoromethane-sulfonate)
CID 10814995
Trifluoromethanesulfonate;triphenyl-(2-phenyl-4-pyridinyl)phosphanium
CID 175165991
[Fe(OTf)2(mcp)]
CID 53314867
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53314875
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
bis(N,N-dimethylpyridin-4-amine);triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
CID 138974231
Bis(bis(trifluoromethylsulfonyl)azanide);bis(2-(2-ethylpyridin-1-ium-1-yl)acetonitrile)
CID 139037027

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The IUPAC name of 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth (CID 138974233) is 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth.
What is the SMILES notation for 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The canonical SMILES for 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth is O=S(=O)(O[Bi](OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
The InChIKey is GMAGKWXPDBUDCO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.3C6H5.2CHF3O3S.Bi/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-8H;3*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2.
What are the key properties of 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth?
2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth has a molecular weight of 894.62 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth is sourced from PubChem (CID 138974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).