bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate

C34H22F6N6S2 — CID 143560686

IUPACbis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate
SMILES[H]/N=C(\S/C(=N/[H])c1cccc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(/C(=N\[H])S/C(=N\[H])c2cccc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C34H22F6N6S2/c35-33(36,37)23-14-10-19(11-15-23)25-6-2-8-27(45-25)31(43)47-29(41)21-4-1-5-22(18-21)30(42)48-32(44)28-9-3-7-26(46-28)20-12-16-24(17-13-20)34(38,39)40/h1-18,41-44H/b41-29-,42-30+,43-31+,44-32-
InChIKeyBHVDHYBIUJPOMD-ZJSGPRSNSA-N
MW692.71 g/mol
LogP10.02
Rot. Bonds6

About bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate

bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate (PubChem CID 143560686) has the molecular formula C34H22F6N6S2 and a molecular weight of 692.71 g/mol. Its IUPAC name is bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate.

Molecular Properties

Compound Namebis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate
PubChem CID143560686
Molecular FormulaC34H22F6N6S2
Molecular Weight692.71 g/mol
Exact Mass692.13
IUPAC Namebis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate
SMILES[H]/N=C(\S/C(=N/[H])c1cccc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(/C(=N\[H])S/C(=N\[H])c2cccc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C34H22F6N6S2/c35-33(36,37)23-14-10-19(11-15-23)25-6-2-8-27(45-25)31(43)47-29(41)21-4-1-5-22(18-21)30(42)48-32(44)28-9-3-7-26(46-28)20-12-16-24(17-13-20)34(38,39)40/h1-18,41-44H/b41-29-,42-30+,43-31+,44-32-
InChIKeyBHVDHYBIUJPOMD-ZJSGPRSNSA-N
XLogP10.02
TPSA121.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.71
LogP ≤ 510.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-tert-butyl-5-[5-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]benzenecarboximidoyl] 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidothioate
CID 143560785
[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-[3-[4-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1-thia-3-azoniacyclobuta-2,3-dien-2-yl]benzenecarboximidoyl]sulfanylmethylidene]azanium
CID 163805830
[5-[5-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboximidoyl] 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidothioate
CID 163841506
bis(6-pyridin-2-ylpyridine-2-carboximidoyl) benzene-1,4-dicarboximidothioate
CID 89222002
bis[6-[2-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] thiophene-2,5-dicarboximidothioate
CID 143560739
bis[6-[2-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] 1,10-phenanthroline-2,9-dicarboximidothioate
CID 143560783
[9,9-dimethyl-7-[5-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]fluorene-2-carboximidoyl] 6-[4-(trifluoromethyl)phenyl]-1,2-dihydropyridine-2-carboximidothioate
CID 163986062
[[9,9-dimethyl-7-[5-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]fluorene-2-carboximidoyl]sulfanyl-[6-[4-(trifluoromethyl)phenyl]-2H-pyridin-1-id-2-yl]methylidene]azanium
CID 163986061
N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 71304529
6-(1H-indol-5-yl)-N,N-bis[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118414123
6-pyridin-4-ylpyridine-2-carboximidamide;hydrochloride
CID 46839680
[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methanol
CID 66806394

Frequently Asked Questions

What is the IUPAC name of bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate?
The IUPAC name of bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate (CID 143560686) is bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate.
What is the SMILES notation for bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate?
The canonical SMILES for bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate is [H]/N=C(\S/C(=N/[H])c1cccc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(/C(=N\[H])S/C(=N\[H])c2cccc(-c3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate?
The InChIKey is BHVDHYBIUJPOMD-ZJSGPRSNSA-N. The full InChI is InChI=1S/C34H22F6N6S2/c35-33(36,37)23-14-10-19(11-15-23)25-6-2-8-27(45-25)31(43)47-29(41)21-4-1-5-22(18-21)30(42)48-32(44)28-9-3-7-26(46-28)20-12-16-24(17-13-20)34(38,39)40/h1-18,41-44H/b41-29-,42-30+,43-31+,44-32-.
What are the key properties of bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate?
bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate has a molecular weight of 692.71 g/mol, XLogP of 10.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-[4-(trifluoromethyl)phenyl]pyridine-2-carboximidoyl] benzene-1,3-dicarboximidothioate is sourced from PubChem (CID 143560686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).