9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

C32H19F6N — CID 122431504

IUPAC9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C32H19F6N/c33-31(34,35)24-13-14-27(32(36,37)38)30(19-24)39-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)39)21-9-5-2-6-10-21/h1-19H
InChIKeyQFXIVGOTSGGVTQ-UHFFFAOYSA-N
MW531.50 g/mol
LogP10.16
Rot. Bonds3

About 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole

9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (PubChem CID 122431504) has the molecular formula C32H19F6N and a molecular weight of 531.50 g/mol. Its IUPAC name is 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
PubChem CID122431504
Molecular FormulaC32H19F6N
Molecular Weight531.50 g/mol
Exact Mass531.14
IUPAC Name9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C32H19F6N/c33-31(34,35)24-13-14-27(32(36,37)38)30(19-24)39-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)39)21-9-5-2-6-10-21/h1-19H
InChIKeyQFXIVGOTSGGVTQ-UHFFFAOYSA-N
XLogP10.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.50
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
9-[2,5-bis(trifluoromethyl)phenyl]carbazole
CID 122431295
9-[5-[3-[2,7-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-bis[4-(trifluoromethyl)phenyl]carbazole
CID 147940441
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 162611729
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138554301

Frequently Asked Questions

What is the IUPAC name of 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole (CID 122431504) is 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is FC(F)(F)c1ccc(C(F)(F)F)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is QFXIVGOTSGGVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19F6N/c33-31(34,35)24-13-14-27(32(36,37)38)30(19-24)39-28-15-11-22(20-7-3-1-4-8-20)17-25(28)26-18-23(12-16-29(26)39)21-9-5-2-6-10-21/h1-19H.
What are the key properties of 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole?
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 531.50 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 122431504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).