2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene

C34H29FO2 — CID 57097836

IUPAC2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene
SMILESCCOc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)ccc(-c3ccc(F)cc3)c2OCC)cc1
InChIInChI=1S/C34H29FO2/c1-3-36-30-20-16-28(17-21-30)33-31(26-12-10-25(11-13-26)24-8-6-5-7-9-24)22-23-32(34(33)37-4-2)27-14-18-29(35)19-15-27/h5-23H,3-4H2,1-2H3
InChIKeyNBDJXDDJEOXRIO-UHFFFAOYSA-N
MW488.60 g/mol
LogP9.29
Rot. Bonds8

About 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene

2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene (PubChem CID 57097836) has the molecular formula C34H29FO2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene
PubChem CID57097836
Molecular FormulaC34H29FO2
Molecular Weight488.60 g/mol
Exact Mass488.22
IUPAC Name2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene
SMILESCCOc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)ccc(-c3ccc(F)cc3)c2OCC)cc1
InChIInChI=1S/C34H29FO2/c1-3-36-30-20-16-28(17-21-30)33-31(26-12-10-25(11-13-26)24-8-6-5-7-9-24)22-23-32(34(33)37-4-2)27-14-18-29(35)19-15-27/h5-23H,3-4H2,1-2H3
InChIKeyNBDJXDDJEOXRIO-UHFFFAOYSA-N
XLogP9.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene 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 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene?
The IUPAC name of 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene (CID 57097836) is 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene.
What is the SMILES notation for 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene?
The canonical SMILES for 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene is CCOc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)ccc(-c3ccc(F)cc3)c2OCC)cc1.
What is the InChIKey of 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene?
The InChIKey is NBDJXDDJEOXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FO2/c1-3-36-30-20-16-28(17-21-30)33-31(26-12-10-25(11-13-26)24-8-6-5-7-9-24)22-23-32(34(33)37-4-2)27-14-18-29(35)19-15-27/h5-23H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene?
2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene has a molecular weight of 488.60 g/mol, XLogP of 9.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4-(4-phenylphenyl)benzene is sourced from PubChem (CID 57097836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).