6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile

C34H26F6N2Te — CID 169026350

IUPAC6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2[te]c2cc(C#N)ccc23)cc1-c1ccc(C2([2H])CCC(C(F)(F)F)(C(F)(F)F)CC2)cc1C([2H])([2H])[2H]
InChIInChI=1S/C34H26F6N2Te/c1-19-14-23(22-10-12-32(13-11-22,33(35,36)37)34(38,39)40)7-9-24(19)28-16-29(42-18-20(28)2)27-5-3-4-26-25-8-6-21(17-41)15-30(25)43-31(26)27/h3-9,14-16,18,22H,10-13H2,1-2H3/i1D3,2D3,22D
InChIKeyCAZFRRFRUBQQLB-RIOOSIEWSA-N
MW711.23 g/mol
LogP10.04
Rot. Bonds5

About 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile

6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile (PubChem CID 169026350) has the molecular formula C34H26F6N2Te and a molecular weight of 711.23 g/mol. Its IUPAC name is 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile
PubChem CID169026350
Molecular FormulaC34H26F6N2Te
Molecular Weight711.23 g/mol
Exact Mass713.15
IUPAC Name6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2[te]c2cc(C#N)ccc23)cc1-c1ccc(C2([2H])CCC(C(F)(F)F)(C(F)(F)F)CC2)cc1C([2H])([2H])[2H]
InChIInChI=1S/C34H26F6N2Te/c1-19-14-23(22-10-12-32(13-11-22,33(35,36)37)34(38,39)40)7-9-24(19)28-16-29(42-18-20(28)2)27-5-3-4-26-25-8-6-21(17-41)15-30(25)43-31(26)27/h3-9,14-16,18,22H,10-13H2,1-2H3/i1D3,2D3,22D
InChIKeyCAZFRRFRUBQQLB-RIOOSIEWSA-N
XLogP10.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.23
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzotellurophen-7-ide-3-carbonitrile;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169026349
7-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-1,3-benzoxazole
CID 158062517
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237
4-deuterio-6-[4-[2-deuterio-4-(5-silaspiro[4.5]decan-8-yl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 176802734
6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 176802702
8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 170521593
CID 162452652
CID 162452652
5-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
CID 162452860
2-tert-butyl-9-[4-(4-deuterio-1,1-dimethylgerminan-4-yl)-5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-e][1,3]benzoxazole
CID 176802747
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
2-[6,8-bis(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162452918
8-[4-[4-(1-deuterio-4-fluoro-4-methylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 161141218

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile?
The IUPAC name of 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile (CID 169026350) is 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile?
The canonical SMILES for 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile is [2H]C([2H])([2H])c1cnc(-c2cccc3c2[te]c2cc(C#N)ccc23)cc1-c1ccc(C2([2H])CCC(C(F)(F)F)(C(F)(F)F)CC2)cc1C([2H])([2H])[2H].
What is the InChIKey of 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile?
The InChIKey is CAZFRRFRUBQQLB-RIOOSIEWSA-N. The full InChI is InChI=1S/C34H26F6N2Te/c1-19-14-23(22-10-12-32(13-11-22,33(35,36)37)34(38,39)40)7-9-24(19)28-16-29(42-18-20(28)2)27-5-3-4-26-25-8-6-21(17-41)15-30(25)43-31(26)27/h3-9,14-16,18,22H,10-13H2,1-2H3/i1D3,2D3,22D.
What are the key properties of 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile?
6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile has a molecular weight of 711.23 g/mol, XLogP of 10.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[1-deuterio-4,4-bis(trifluoromethyl)cyclohexyl]-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzotellurophene-3-carbonitrile is sourced from PubChem (CID 169026350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).