carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)

C89H101F33N11Ta11-11 — CID 167617644

IUPACcarbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)
SMILESCC(F)(F)Cc1cccnc1.CC(F)(F)Cc1cccnc1.CC(c1cccnc1)C(F)(F)F.CC(c1cccnc1)C(F)(F)F.FC(F)(F)Cc1cccnc1.FC(F)(F)Cc1cccnc1.FC(F)Cc1cccnc1.FC(F)Cc1cccnc1.Fc1nccc(C(F)(F)F)c1F.Fc1nccc(C(F)F)c1F.Fc1nccc(C(F)F)c1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/2C8H8F3N.2C8H9F2N.2C7H6F3N.2C7H7F2N.C6H2F5N.2C6H3F4N.11CH3.11Ta/c2*1-6(8(9,10)11)7-3-2-4-12-5-7;2*1-8(9,10)5-7-3-2-4-11-6-7;2*8-7(9,10)4-6-2-1-3-11-5-6;2*8-7(9)4-6-2-1-3-10-5-6;7-4-3(6(9,10)11)1-2-12-5(4)8;2*7-4-3(5(8)9)1-2-11-6(4)10;;;;;;;;;;;;;;;;;;;;;;/h2*2-6H,1H3;2*2-4,6H,5H2,1H3;2*1-3,5H,4H2;2*1-3,5,7H,4H2;1-2H;2*1-2,5H;11*1H3;;;;;;;;;;;/q;;;;;;;;;;;11*-1;;;;;;;;;;;
InChIKeyZLHMJONGWYWFFV-UHFFFAOYSA-N
MW3942.23 g/mol
LogP30.10
Rot. Bonds14

About carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)

carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) (PubChem CID 167617644) has the molecular formula C89H101F33N11Ta11-11 and a molecular weight of 3942.23 g/mol. Its IUPAC name is carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine).

Molecular Properties

Compound Namecarbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)
PubChem CID167617644
Molecular FormulaC89H101F33N11Ta11-11
Molecular Weight3942.23 g/mol
Exact Mass3941.21
IUPAC Namecarbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)
SMILESCC(F)(F)Cc1cccnc1.CC(F)(F)Cc1cccnc1.CC(c1cccnc1)C(F)(F)F.CC(c1cccnc1)C(F)(F)F.FC(F)(F)Cc1cccnc1.FC(F)(F)Cc1cccnc1.FC(F)Cc1cccnc1.FC(F)Cc1cccnc1.Fc1nccc(C(F)(F)F)c1F.Fc1nccc(C(F)F)c1F.Fc1nccc(C(F)F)c1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta]
InChIInChI=1S/2C8H8F3N.2C8H9F2N.2C7H6F3N.2C7H7F2N.C6H2F5N.2C6H3F4N.11CH3.11Ta/c2*1-6(8(9,10)11)7-3-2-4-12-5-7;2*1-8(9,10)5-7-3-2-4-11-6-7;2*8-7(9,10)4-6-2-1-3-11-5-6;2*8-7(9)4-6-2-1-3-10-5-6;7-4-3(6(9,10)11)1-2-12-5(4)8;2*7-4-3(5(8)9)1-2-11-6(4)10;;;;;;;;;;;;;;;;;;;;;;/h2*2-6H,1H3;2*2-4,6H,5H2,1H3;2*1-3,5H,4H2;2*1-3,5,7H,4H2;1-2H;2*1-2,5H;11*1H3;;;;;;;;;;;/q;;;;;;;;;;;11*-1;;;;;;;;;;;
InChIKeyZLHMJONGWYWFFV-UHFFFAOYSA-N
XLogP30.10
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003942.23
LogP ≤ 530.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) with MolForge

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Related Compounds

1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene tetraiodide
CID 70694113
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
Cyclobis(paraquat-1,4-phenylene) Tetrakis(hexafluorophosphate)
CID 11040455
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
CID 60146995
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
1-[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium decahexafluorophosphate
CID 46222002
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
CID 46889628
6',6''-Di(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine
CID 11983112
Tris[4,4'-bis(t-butyl)-2,2'-bipyridine]ruthenium(II) hexafluorophosphate
CID 12971076

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)?
The IUPAC name of carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) (CID 167617644) is carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine).
What is the SMILES notation for carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)?
The canonical SMILES for carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) is CC(F)(F)Cc1cccnc1.CC(F)(F)Cc1cccnc1.CC(c1cccnc1)C(F)(F)F.CC(c1cccnc1)C(F)(F)F.FC(F)(F)Cc1cccnc1.FC(F)(F)Cc1cccnc1.FC(F)Cc1cccnc1.FC(F)Cc1cccnc1.Fc1nccc(C(F)(F)F)c1F.Fc1nccc(C(F)F)c1F.Fc1nccc(C(F)F)c1F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta].
What is the InChIKey of carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)?
The InChIKey is ZLHMJONGWYWFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8F3N.2C8H9F2N.2C7H6F3N.2C7H7F2N.C6H2F5N.2C6H3F4N.11CH3.11Ta/c2*1-6(8(9,10)11)7-3-2-4-12-5-7;2*1-8(9,10)5-7-3-2-4-11-6-7;2*8-7(9,10)4-6-2-1-3-11-5-6;2*8-7(9)4-6-2-1-3-10-5-6;7-4-3(6(9,10)11)1-2-12-5(4)8;2*7-4-3(5(8)9)1-2-11-6(4)10;;;;;;;;;;;;;;;;;;;;;;/h2*2-6H,1H3;2*2-4,6H,5H2,1H3;2*1-3,5H,4H2;2*1-3,5,7H,4H2;1-2H;2*1-2,5H;11*1H3;;;;;;;;;;;/q;;;;;;;;;;;11*-1;;;;;;;;;;;.
What are the key properties of carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine)?
carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) has a molecular weight of 3942.23 g/mol, XLogP of 30.10, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(3-(2,2-difluoroethyl)pyridine);bis(4-(difluoromethyl)-2,3-difluoropyridine);bis(3-(2,2-difluoropropyl)pyridine);2,3-difluoro-4-(trifluoromethyl)pyridine;tantalum;bis(3-(2,2,2-trifluoroethyl)pyridine);bis(3-(1,1,1-trifluoropropan-2-yl)pyridine) is sourced from PubChem (CID 167617644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).