9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole

C37H23F3N2 — CID 174910528

IUPAC9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C37H23F3N2/c38-37(39,40)32-23-26(42-35-15-7-3-11-30(35)31-12-4-8-16-36(31)42)21-22-27(32)24-17-19-25(20-18-24)41-33-13-5-1-9-28(33)29-10-2-6-14-34(29)41/h1-23H
InChIKeyHYZPSHNFVTZCLQ-UHFFFAOYSA-N
MW552.60 g/mol
LogP10.57
Rot. Bonds3

About 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole

9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole (PubChem CID 174910528) has the molecular formula C37H23F3N2 and a molecular weight of 552.60 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
PubChem CID174910528
Molecular FormulaC37H23F3N2
Molecular Weight552.60 g/mol
Exact Mass552.18
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C37H23F3N2/c38-37(39,40)32-23-26(42-35-15-7-3-11-30(35)31-12-4-8-16-36(31)42)21-22-27(32)24-17-19-25(20-18-24)41-33-13-5-1-9-28(33)29-10-2-6-14-34(29)41/h1-23H
InChIKeyHYZPSHNFVTZCLQ-UHFFFAOYSA-N
XLogP10.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.60
LogP ≤ 510.57
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-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole (CID 174910528) is 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole?
The InChIKey is HYZPSHNFVTZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F3N2/c38-37(39,40)32-23-26(42-35-15-7-3-11-30(35)31-12-4-8-16-36(31)42)21-22-27(32)24-17-19-25(20-18-24)41-33-13-5-1-9-28(33)29-10-2-6-14-34(29)41/h1-23H.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole?
9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole has a molecular weight of 552.60 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)-3-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 174910528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).