4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline

C55H35F3N2O — CID 90321257

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline
SMILESFC(F)(F)c1cccc2c1oc1c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)cccc12
InChIInChI=1S/C55H35F3N2O/c56-55(57,58)49-18-9-16-46-47-17-10-20-52(54(47)61-53(46)49)60-50-19-8-7-15-45(50)48-35-41(27-34-51(48)60)40-25-32-44(33-26-40)59(42-28-21-38(22-29-42)36-11-3-1-4-12-36)43-30-23-39(24-31-43)37-13-5-2-6-14-37/h1-35H
InChIKeyXPFVDZNOGLLGDQ-UHFFFAOYSA-N
MW796.89 g/mol
LogP16.17
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline (PubChem CID 90321257) 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-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline
PubChem CID90321257
Molecular FormulaC55H35F3N2O
Molecular Weight796.89 g/mol
Exact Mass796.27
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline
SMILESFC(F)(F)c1cccc2c1oc1c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)cccc12
InChIInChI=1S/C55H35F3N2O/c56-55(57,58)49-18-9-16-46-47-17-10-20-52(54(47)61-53(46)49)60-50-19-8-7-15-45(50)48-35-41(27-34-51(48)60)40-25-32-44(33-26-40)59(42-28-21-38(22-29-42)36-11-3-1-4-12-36)43-30-23-39(24-31-43)37-13-5-2-6-14-37/h1-35H
InChIKeyXPFVDZNOGLLGDQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline (CID 90321257) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline is FC(F)(F)c1cccc2c1oc1c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)cccc12.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline?
The InChIKey is XPFVDZNOGLLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35F3N2O/c56-55(57,58)49-18-9-16-46-47-17-10-20-52(54(47)61-53(46)49)60-50-19-8-7-15-45(50)48-35-41(27-34-51(48)60)40-25-32-44(33-26-40)59(42-28-21-38(22-29-42)36-11-3-1-4-12-36)43-30-23-39(24-31-43)37-13-5-2-6-14-37/h1-35H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[6-(trifluoromethyl)dibenzofuran-4-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-[6-(trifluoromethyl)dibenzofuran-4-yl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 90321257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).