4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine

C37H25F3N2OS — CID 118070514

IUPAC4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine
SMILESFC(F)(F)Sc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C37H25F3N2OS/c38-37(39,40)44-32-22-19-30(20-23-32)41(26-9-3-1-4-10-26)28-15-17-29(18-16-28)42(27-11-5-2-6-12-27)31-21-24-36-34(25-31)33-13-7-8-14-35(33)43-36/h1-25H
InChIKeyLKUGGKDAKCSTKT-UHFFFAOYSA-N
MW602.68 g/mol
LogP12.14
Rot. Bonds7

About 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine

4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine (PubChem CID 118070514) has the molecular formula C37H25F3N2OS and a molecular weight of 602.68 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine
PubChem CID118070514
Molecular FormulaC37H25F3N2OS
Molecular Weight602.68 g/mol
Exact Mass602.16
IUPAC Name4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine
SMILESFC(F)(F)Sc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C37H25F3N2OS/c38-37(39,40)44-32-22-19-30(20-23-32)41(26-9-3-1-4-10-26)28-15-17-29(18-16-28)42(27-11-5-2-6-12-27)31-21-24-36-34(25-31)33-13-7-8-14-35(33)43-36/h1-25H
InChIKeyLKUGGKDAKCSTKT-UHFFFAOYSA-N
XLogP12.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.68
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine 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-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine (CID 118070514) is 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine is FC(F)(F)Sc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine?
The InChIKey is LKUGGKDAKCSTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F3N2OS/c38-37(39,40)44-32-22-19-30(20-23-32)41(26-9-3-1-4-10-26)28-15-17-29(18-16-28)42(27-11-5-2-6-12-27)31-21-24-36-34(25-31)33-13-7-8-14-35(33)43-36/h1-25H.
What are the key properties of 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine?
4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine has a molecular weight of 602.68 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-1-N,4-N-diphenyl-1-N-[4-(trifluoromethylsulfanyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 118070514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).