1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine

C18H12F6N2 — CID 118400103

IUPAC1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
SMILESFC(F)(F)N1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1
InChIInChI=1S/C18H12F6N2/c19-17(20,21)25-9-5-15(6-10-25)13-1-2-14(4-3-13)16-7-11-26(12-8-16)18(22,23)24/h1-12H
InChIKeyGTFYJOUTAGPIGL-UHFFFAOYSA-N
MW370.30 g/mol
LogP3.71
Rot. Bonds

About 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine

1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine (PubChem CID 118400103) has the molecular formula C18H12F6N2 and a molecular weight of 370.30 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
PubChem CID118400103
Molecular FormulaC18H12F6N2
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine
SMILESFC(F)(F)N1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1
InChIInChI=1S/C18H12F6N2/c19-17(20,21)25-9-5-15(6-10-25)13-1-2-14(4-3-13)16-7-11-26(12-8-16)18(22,23)24/h1-12H
InChIKeyGTFYJOUTAGPIGL-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The IUPAC name of 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine (CID 118400103) is 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine.
What is the SMILES notation for 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The canonical SMILES for 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine is FC(F)(F)N1C=CC(=c2ccc(=C3C=CN(C(F)(F)F)C=C3)cc2)C=C1.
What is the InChIKey of 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
The InChIKey is GTFYJOUTAGPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2/c19-17(20,21)25-9-5-15(6-10-25)13-1-2-14(4-3-13)16-7-11-26(12-8-16)18(22,23)24/h1-12H.
What are the key properties of 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine?
1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine has a molecular weight of 370.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[4-[1-(trifluoromethyl)-4-pyridinylidene]cyclohexa-2,5-dien-1-ylidene]pyridine is sourced from PubChem (CID 118400103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).