4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline

C37H26FNO — CID 22590676

IUPAC4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline
SMILESFc1ccccc1C1(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C37H26FNO/c38-35-18-10-9-17-34(35)37(26-25-33-32-16-8-7-11-27(32)19-24-36(33)40-37)28-20-22-31(23-21-28)39(29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-26H
InChIKeyVXBVIJVADNFFOT-UHFFFAOYSA-N
MW519.62 g/mol
LogP9.80
Rot. Bonds5

About 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline

4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline (PubChem CID 22590676) has the molecular formula C37H26FNO and a molecular weight of 519.62 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline
PubChem CID22590676
Molecular FormulaC37H26FNO
Molecular Weight519.62 g/mol
Exact Mass519.20
IUPAC Name4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline
SMILESFc1ccccc1C1(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C37H26FNO/c38-35-18-10-9-17-34(35)37(26-25-33-32-16-8-7-11-27(32)19-24-36(33)40-37)28-20-22-31(23-21-28)39(29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-26H
InChIKeyVXBVIJVADNFFOT-UHFFFAOYSA-N
XLogP9.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.62
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline 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 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline (CID 22590676) is 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline is Fc1ccccc1C1(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline?
The InChIKey is VXBVIJVADNFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26FNO/c38-35-18-10-9-17-34(35)37(26-25-33-32-16-8-7-11-27(32)19-24-36(33)40-37)28-20-22-31(23-21-28)39(29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-26H.
What are the key properties of 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline?
4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline has a molecular weight of 519.62 g/mol, XLogP of 9.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 22590676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).