9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole

C25H17F3N2 — CID 58401260

IUPAC9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H17F3N2/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30/h2-15H,1H3
InChIKeyJTVQPGXXWCPWFO-UHFFFAOYSA-N
MW402.42 g/mol
LogP7.17
Rot. Bonds2

About 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole

9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (PubChem CID 58401260) has the molecular formula C25H17F3N2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
PubChem CID58401260
Molecular FormulaC25H17F3N2
Molecular Weight402.42 g/mol
Exact Mass402.13
IUPAC Name9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H17F3N2/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30/h2-15H,1H3
InChIKeyJTVQPGXXWCPWFO-UHFFFAOYSA-N
XLogP7.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(4-fluorophenyl)-4-pyridinyl]carbazole
CID 59546711
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 130334912
9-(2-pyridin-3-yl-4-pyridinyl)carbazole
CID 171768043
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
9-[2-(2,3-difluorophenyl)-4-pyridinyl]carbazole
CID 68513665
3-(4-tert-butylphenyl)-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803300
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158207837
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The IUPAC name of 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole (CID 58401260) is 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole.
What is the SMILES notation for 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The canonical SMILES for 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
The InChIKey is JTVQPGXXWCPWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2/c1-16-12-17(14-18(13-16)25(26,27)28)22-15-19(10-11-29-22)30-23-8-4-2-6-20(23)21-7-3-5-9-24(21)30/h2-15H,1H3.
What are the key properties of 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole?
9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole has a molecular weight of 402.42 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole is sourced from PubChem (CID 58401260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).