4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline

C55H35F3N2O — CID 90321207

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
SMILESFC(F)(F)c1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)cc3c2c1
InChIInChI=1S/C55H35F3N2O/c56-55(57,58)42-22-31-53-49(34-42)50-35-46(29-32-54(50)61-53)60-51-14-8-7-13-47(51)48-33-41(21-30-52(48)60)40-19-27-45(28-20-40)59(43-23-15-38(16-24-43)36-9-3-1-4-10-36)44-25-17-39(18-26-44)37-11-5-2-6-12-37/h1-35H
InChIKeyVVHLJYLXEGFKPH-UHFFFAOYSA-N
MW796.89 g/mol
LogP16.17
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline (PubChem CID 90321207) has the molecular formula C55H35F3N2O and a molecular weight of 796.89 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
PubChem CID90321207
Molecular FormulaC55H35F3N2O
Molecular Weight796.89 g/mol
Exact Mass796.27
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
SMILESFC(F)(F)c1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)cc3c2c1
InChIInChI=1S/C55H35F3N2O/c56-55(57,58)42-22-31-53-49(34-42)50-35-46(29-32-54(50)61-53)60-51-14-8-7-13-47(51)48-33-41(21-30-52(48)60)40-19-27-45(28-20-40)59(43-23-15-38(16-24-43)36-9-3-1-4-10-36)44-25-17-39(18-26-44)37-11-5-2-6-12-37/h1-35H
InChIKeyVVHLJYLXEGFKPH-UHFFFAOYSA-N
XLogP16.17
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.89
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline 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-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline (CID 90321207) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline is FC(F)(F)c1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)cc3c2c1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline?
The InChIKey is VVHLJYLXEGFKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35F3N2O/c56-55(57,58)42-22-31-53-49(34-42)50-35-46(29-32-54(50)61-53)60-51-14-8-7-13-47(51)48-33-41(21-30-52(48)60)40-19-27-45(28-20-40)59(43-23-15-38(16-24-43)36-9-3-1-4-10-36)44-25-17-39(18-26-44)37-11-5-2-6-12-37/h1-35H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline has a molecular weight of 796.89 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 90321207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).