3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline

C35H23F3N2O — CID 175325189

IUPAC3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline
SMILESFC(F)(F)Oc1ccc2nnc(-c3ccccc3C(=Cc3ccccc3)c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C35H23F3N2O/c36-35(37,38)41-27-20-21-32-31(23-27)33(26-16-8-3-9-17-26)34(40-39-32)29-19-11-10-18-28(29)30(25-14-6-2-7-15-25)22-24-12-4-1-5-13-24/h1-23H
InChIKeyYVZKHOAXPIRFQA-UHFFFAOYSA-N
MW544.58 g/mol
LogP9.45
Rot. Bonds6

About 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline

3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline (PubChem CID 175325189) has the molecular formula C35H23F3N2O and a molecular weight of 544.58 g/mol. Its IUPAC name is 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline.

Molecular Properties

Compound Name3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline
PubChem CID175325189
Molecular FormulaC35H23F3N2O
Molecular Weight544.58 g/mol
Exact Mass544.18
IUPAC Name3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline
SMILESFC(F)(F)Oc1ccc2nnc(-c3ccccc3C(=Cc3ccccc3)c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C35H23F3N2O/c36-35(37,38)41-27-20-21-32-31(23-27)33(26-16-8-3-9-17-26)34(40-39-32)29-19-11-10-18-28(29)30(25-14-6-2-7-15-25)22-24-12-4-1-5-13-24/h1-23H
InChIKeyYVZKHOAXPIRFQA-UHFFFAOYSA-N
XLogP9.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Related Compounds

3-Benzyl-4-(3-{[2-chloro-3-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
CID 11853545
3-Benzyl-4-(3-{[5-fluoro-2-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
CID 11853793
3-Benzyl-4-(3-{[2-fluoro-3-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
CID 11853546
3-Benzyl-8-chloro-4-(3-{[5-fluoro-2-(trifluoromethyl)benzyl]oxy}phenyl)cinnoline
CID 11854314
1-(4-Fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 2241081
1-(3,4-Dimethylphenyl)-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6408139
2-Methoxybenzo[c]cinnoline
CID 85740757
1-Benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
1-Phenyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6413021
2,3,9-Trimethoxynaphtho[1,2-c]cinnoline
CID 9944921
1-[3-(Trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 16319368
1-Benzyl-4-(4-fluorophenoxy)phthalazine
CID 6404478

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline?
The IUPAC name of 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline (CID 175325189) is 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline.
What is the SMILES notation for 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline?
The canonical SMILES for 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline is FC(F)(F)Oc1ccc2nnc(-c3ccccc3C(=Cc3ccccc3)c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline?
The InChIKey is YVZKHOAXPIRFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23F3N2O/c36-35(37,38)41-27-20-21-32-31(23-27)33(26-16-8-3-9-17-26)34(40-39-32)29-19-11-10-18-28(29)30(25-14-6-2-7-15-25)22-24-12-4-1-5-13-24/h1-23H.
What are the key properties of 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline?
3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline has a molecular weight of 544.58 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-diphenylethenyl)phenyl]-4-phenyl-6-(trifluoromethoxy)cinnoline is sourced from PubChem (CID 175325189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).