9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole

C22H12F3N3 — CID 141380983

IUPAC9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole
SMILESFc1ccc(-c2ncc(-n3c4ccccc4c4ccccc43)cn2)c(F)c1F
InChIInChI=1S/C22H12F3N3/c23-17-10-9-16(20(24)21(17)25)22-26-11-13(12-27-22)28-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28/h1-12H
InChIKeyUHQMNGNUQVKIQB-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.66
Rot. Bonds2

About 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole

9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole (PubChem CID 141380983) has the molecular formula C22H12F3N3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole.

Molecular Properties

Compound Name9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole
PubChem CID141380983
Molecular FormulaC22H12F3N3
Molecular Weight375.35 g/mol
Exact Mass375.10
IUPAC Name9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole
SMILESFc1ccc(-c2ncc(-n3c4ccccc4c4ccccc43)cn2)c(F)c1F
InChIInChI=1S/C22H12F3N3/c23-17-10-9-16(20(24)21(17)25)22-26-11-13(12-27-22)28-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28/h1-12H
InChIKeyUHQMNGNUQVKIQB-UHFFFAOYSA-N
XLogP5.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2,3-difluorophenyl)-4-pyridinyl]carbazole
CID 68513665
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
CID 118529339
9-[3-(2,3-difluorophenyl)phenyl]carbazole
CID 122431739
9-(1H-pyrazol-4-yl)carbazole
CID 172540538
N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 163795809
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316
20-(4-bromo-3-fluorophenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 172522385
9-quinolin-3-ylcarbazole
CID 138984974
[4-(3-carbazol-9-ylpyrido[2,3-b]indole-9-carbonyl)phenyl]-(3-carbazol-9-ylpyrido[2,3-b]indol-9-yl)methanone
CID 135252680

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole?
The IUPAC name of 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole (CID 141380983) is 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole.
What is the SMILES notation for 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole?
The canonical SMILES for 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole is Fc1ccc(-c2ncc(-n3c4ccccc4c4ccccc43)cn2)c(F)c1F.
What is the InChIKey of 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole?
The InChIKey is UHQMNGNUQVKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F3N3/c23-17-10-9-16(20(24)21(17)25)22-26-11-13(12-27-22)28-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28/h1-12H.
What are the key properties of 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole?
9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole has a molecular weight of 375.35 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole is sourced from PubChem (CID 141380983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).