3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole

C32H18F6N2 — CID 59307060

IUPAC3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc3c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C32H18F6N2/c33-31(34,35)20-7-10-22(11-8-20)40-29-13-6-19(16-25(29)26-17-21(32(36,37)38)9-14-30(26)40)18-5-12-28-24(15-18)23-3-1-2-4-27(23)39-28/h1-17,39H
InChIKeyDHUSDTJRNORVQX-UHFFFAOYSA-N
MW544.50 g/mol
LogP10.12
Rot. Bonds2

About 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole

3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole (PubChem CID 59307060) has the molecular formula C32H18F6N2 and a molecular weight of 544.50 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
PubChem CID59307060
Molecular FormulaC32H18F6N2
Molecular Weight544.50 g/mol
Exact Mass544.14
IUPAC Name3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc3c3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C32H18F6N2/c33-31(34,35)20-7-10-22(11-8-20)40-29-13-6-19(16-25(29)26-17-21(32(36,37)38)9-14-30(26)40)18-5-12-28-24(15-18)23-3-1-2-4-27(23)39-28/h1-17,39H
InChIKeyDHUSDTJRNORVQX-UHFFFAOYSA-N
XLogP10.12
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole
CID 158108669
9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole
CID 169051925
10-(9H-carbazol-3-yl)-5,7-diphenylbenzo[c]carbazole
CID 147230918
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole (CID 59307060) is 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-n2c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc3c3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is DHUSDTJRNORVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6N2/c33-31(34,35)20-7-10-22(11-8-20)40-29-13-6-19(16-25(29)26-17-21(32(36,37)38)9-14-30(26)40)18-5-12-28-24(15-18)23-3-1-2-4-27(23)39-28/h1-17,39H.
What are the key properties of 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole?
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 544.50 g/mol, XLogP of 10.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 59307060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).