N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline

C55H37F3N2O — CID 138467597

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline
SMILESFC(F)(F)Oc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C55H37F3N2O/c56-55(57,58)61-50-34-26-42(27-35-50)44-13-8-12-43(36-44)40-22-30-47(31-23-40)59(46-28-20-39(21-29-46)38-10-2-1-3-11-38)48-32-24-41(25-33-48)45-14-9-15-49(37-45)60-53-18-6-4-16-51(53)52-17-5-7-19-54(52)60/h1-37H
InChIKeyQZVDXWYKFPISAD-UHFFFAOYSA-N
MW798.91 g/mol
LogP15.82
Rot. Bonds9

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline (PubChem CID 138467597) has the molecular formula C55H37F3N2O and a molecular weight of 798.91 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline
PubChem CID138467597
Molecular FormulaC55H37F3N2O
Molecular Weight798.91 g/mol
Exact Mass798.29
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline
SMILESFC(F)(F)Oc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C55H37F3N2O/c56-55(57,58)61-50-34-26-42(27-35-50)44-13-8-12-43(36-44)40-22-30-47(31-23-40)59(46-28-20-39(21-29-46)38-10-2-1-3-11-38)48-32-24-41(25-33-48)45-14-9-15-49(37-45)60-53-18-6-4-16-51(53)52-17-5-7-19-54(52)60/h1-37H
InChIKeyQZVDXWYKFPISAD-UHFFFAOYSA-N
XLogP15.82
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.91
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline (CID 138467597) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline is FC(F)(F)Oc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline?
The InChIKey is QZVDXWYKFPISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-34-26-42(27-35-50)44-13-8-12-43(36-44)40-22-30-47(31-23-40)59(46-28-20-39(21-29-46)38-10-2-1-3-11-38)48-32-24-41(25-33-48)45-14-9-15-49(37-45)60-53-18-6-4-16-51(53)52-17-5-7-19-54(52)60/h1-37H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline has a molecular weight of 798.91 g/mol, XLogP of 15.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-[4-(trifluoromethoxy)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 138467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).