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

C55H37F3N2O — CID 138467452

IUPAC4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
SMILESFC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C55H37F3N2O/c56-55(57,58)61-50-35-25-42(26-36-50)41-19-29-47(30-20-41)59(48-31-23-43(24-32-48)45-12-8-11-44(37-45)38-9-2-1-3-10-38)46-27-17-39(18-28-46)40-21-33-49(34-22-40)60-53-15-6-4-13-51(53)52-14-5-7-16-54(52)60/h1-37H
InChIKeyLHGXSHNATFUPIB-UHFFFAOYSA-N
MW798.91 g/mol
LogP15.82
Rot. Bonds9

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

4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline (PubChem CID 138467452) has the molecular formula C55H37F3N2O and a molecular weight of 798.91 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
PubChem CID138467452
Molecular FormulaC55H37F3N2O
Molecular Weight798.91 g/mol
Exact Mass798.29
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
SMILESFC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C55H37F3N2O/c56-55(57,58)61-50-35-25-42(26-36-50)41-19-29-47(30-20-41)59(48-31-23-43(24-32-48)45-12-8-11-44(37-45)38-9-2-1-3-10-38)46-27-17-39(18-28-46)40-21-33-49(34-22-40)60-53-15-6-4-13-51(53)52-14-5-7-16-54(52)60/h1-37H
InChIKeyLHGXSHNATFUPIB-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 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline (CID 138467452) is 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline is FC(F)(F)Oc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
The InChIKey is LHGXSHNATFUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37F3N2O/c56-55(57,58)61-50-35-25-42(26-36-50)41-19-29-47(30-20-41)59(48-31-23-43(24-32-48)45-12-8-11-44(37-45)38-9-2-1-3-10-38)46-27-17-39(18-28-46)40-21-33-49(34-22-40)60-53-15-6-4-13-51(53)52-14-5-7-16-54(52)60/h1-37H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline?
4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)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 4-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline is sourced from PubChem (CID 138467452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).