9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole

C23H12F6N2 — CID 88555827

IUPAC9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(-n3c4ccccc4c4ccccc43)cc2n1
InChIInChI=1S/C23H12F6N2/c24-22(25,26)17-12-21(23(27,28)29)30-18-11-13(9-10-16(17)18)31-19-7-3-1-5-14(19)15-6-2-4-8-20(15)31/h1-12H
InChIKeySWIMISPKVCUPQK-UHFFFAOYSA-N
MW430.35 g/mol
LogP7.37
Rot. Bonds1

About 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole

9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole (PubChem CID 88555827) has the molecular formula C23H12F6N2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole.

Molecular Properties

Compound Name9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole
PubChem CID88555827
Molecular FormulaC23H12F6N2
Molecular Weight430.35 g/mol
Exact Mass430.09
IUPAC Name9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(-n3c4ccccc4c4ccccc43)cc2n1
InChIInChI=1S/C23H12F6N2/c24-22(25,26)17-12-21(23(27,28)29)30-18-11-13(9-10-16(17)18)31-19-7-3-1-5-14(19)15-6-2-4-8-20(15)31/h1-12H
InChIKeySWIMISPKVCUPQK-UHFFFAOYSA-N
XLogP7.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 138736236
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509847
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 162611736
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167055278
9-[2-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059833
3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447541

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole?
The IUPAC name of 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole (CID 88555827) is 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole.
What is the SMILES notation for 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole?
The canonical SMILES for 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole is FC(F)(F)c1cc(C(F)(F)F)c2ccc(-n3c4ccccc4c4ccccc43)cc2n1.
What is the InChIKey of 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole?
The InChIKey is SWIMISPKVCUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F6N2/c24-22(25,26)17-12-21(23(27,28)29)30-18-11-13(9-10-16(17)18)31-19-7-3-1-5-14(19)15-6-2-4-8-20(15)31/h1-12H.
What are the key properties of 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole?
9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole has a molecular weight of 430.35 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(trifluoromethyl)quinolin-7-yl]carbazole is sourced from PubChem (CID 88555827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).