2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline

C35H23F3N2O — CID 175325190

IUPAC2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline
SMILESC(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.FC(F)(F)Oc1ccc2nnccc2c1
InChIInChI=1S/C26H18.C9H5F3N2O/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;10-9(11,12)15-7-1-2-8-6(5-7)3-4-13-14-8/h1-18H;1-5H
InChIKeyOXWINCLMVQBSTJ-UHFFFAOYSA-N
MW544.58 g/mol
LogP9.45
Rot. Bonds5

About 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline

2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline (PubChem CID 175325190) has the molecular formula C35H23F3N2O and a molecular weight of 544.58 g/mol. Its IUPAC name is 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline.

Molecular Properties

Compound Name2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline
PubChem CID175325190
Molecular FormulaC35H23F3N2O
Molecular Weight544.58 g/mol
Exact Mass544.18
IUPAC Name2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline
SMILESC(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.FC(F)(F)Oc1ccc2nnccc2c1
InChIInChI=1S/C26H18.C9H5F3N2O/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;10-9(11,12)15-7-1-2-8-6(5-7)3-4-13-14-8/h1-18H;1-5H
InChIKeyOXWINCLMVQBSTJ-UHFFFAOYSA-N
XLogP9.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.58
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline 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

6-Methoxycinnoline
CID 85873371
4-[3-[[5-Fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
CID 11853301
1-(4-Fluoro-2-methylphenyl)-6-(4-fluorophenoxy)phthalazine
CID 68453609
6-(4-Fluorophenoxy)-1-[2-(trifluoromethyl)phenyl]phthalazine
CID 68454950
6-(2,4-Difluorophenoxy)-1-(2-methylphenyl)phthalazine
CID 68455029
2-[(5-Fluorophthalazin-1-yl)-(4-methoxyphenyl)methyl]aniline
CID 68975869
3-[3,3-dimethyl-6-(trifluoromethoxy)-4H-isoquinolin-1-yl]cinnoline
CID 135152680
3-[2-[4-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrochrysen-6-yl]cinnoline
CID 174859309
3-[6-benzyl-2-[4-(trifluoromethoxy)phenyl]-7,8-dihydro-5H-chrysen-6-yl]cinnoline
CID 174859706
3-[1-Benzyl-2-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrochrysen-6-yl]cinnoline
CID 174859713
3-[2-(1,2-Diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline
CID 175325189
2-(Trifluoromethoxy)benzo[c]cinnoline
CID 178619083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline?
The IUPAC name of 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline (CID 175325190) is 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline.
What is the SMILES notation for 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline?
The canonical SMILES for 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline is C(=C(c1ccccc1)c1ccccc1-c1cc2ccc1-2)c1ccccc1.FC(F)(F)Oc1ccc2nnccc2c1.
What is the InChIKey of 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline?
The InChIKey is OXWINCLMVQBSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C9H5F3N2O/c1-3-9-19(10-4-1)17-25(20-11-5-2-6-12-20)23-13-7-8-14-24(23)26-18-21-15-16-22(21)26;10-9(11,12)15-7-1-2-8-6(5-7)3-4-13-14-8/h1-18H;1-5H.
What are the key properties of 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline?
2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline has a molecular weight of 544.58 g/mol, XLogP of 9.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-diphenylethenyl)phenyl]bicyclo[2.2.0]hexa-1,3,5-triene;6-(trifluoromethoxy)cinnoline is sourced from PubChem (CID 175325190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).