9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole

C26H10F11N — CID 118920530

IUPAC9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C26H10F11N/c27-19-18(20(28)22(30)23(31)21(19)29)14-9-11(25(32,33)34)10-15(26(35,36)37)24(14)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38/h1-10H
InChIKeyLNXXYBVBCNQKCH-UHFFFAOYSA-N
MW545.35 g/mol
LogP9.18
Rot. Bonds2

About 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole

9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 118920530) has the molecular formula C26H10F11N and a molecular weight of 545.35 g/mol. Its IUPAC name is 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole
PubChem CID118920530
Molecular FormulaC26H10F11N
Molecular Weight545.35 g/mol
Exact Mass545.06
IUPAC Name9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C26H10F11N/c27-19-18(20(28)22(30)23(31)21(19)29)14-9-11(25(32,33)34)10-15(26(35,36)37)24(14)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38/h1-10H
InChIKeyLNXXYBVBCNQKCH-UHFFFAOYSA-N
XLogP9.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.35
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole
CID 118914055
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
3,5-bis(trifluoromethyl)-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(2,3,4,5,6-pentafluorophenyl)-1-N,1-N-bis[4-(trifluoromethyl)phenyl]benzene-1,4-diamine;2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)-N-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[2,3,6-trifluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
CID 160942126
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107992
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
CID 174910528
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167107984
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
4-[2,4-bis(trifluoromethyl)phenyl]-3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138567288
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole (CID 118920530) is 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole is Fc1c(F)c(F)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.
What is the InChIKey of 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is LNXXYBVBCNQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F11N/c27-19-18(20(28)22(30)23(31)21(19)29)14-9-11(25(32,33)34)10-15(26(35,36)37)24(14)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38/h1-10H.
What are the key properties of 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole?
9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 545.35 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 118920530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).