6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole

C28H16F3N3O — CID 153421813

IUPAC6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3ccc(-c4cc(F)cc(Oc5ccccn5)c4)cc32)nc1
InChIInChI=1S/C28H16F3N3O/c29-19-5-8-25-24(15-19)23-7-4-17(13-26(23)34(25)27-9-6-20(30)16-33-27)18-11-21(31)14-22(12-18)35-28-3-1-2-10-32-28/h1-16H
InChIKeyGJPCQTRKNXNSKC-UHFFFAOYSA-N
MW467.45 g/mol
LogP7.45
Rot. Bonds4

About 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole

6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole (PubChem CID 153421813) has the molecular formula C28H16F3N3O and a molecular weight of 467.45 g/mol. Its IUPAC name is 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole
PubChem CID153421813
Molecular FormulaC28H16F3N3O
Molecular Weight467.45 g/mol
Exact Mass467.12
IUPAC Name6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3ccc(-c4cc(F)cc(Oc5ccccn5)c4)cc32)nc1
InChIInChI=1S/C28H16F3N3O/c29-19-5-8-25-24(15-19)23-7-4-17(13-26(23)34(25)27-9-6-20(30)16-33-27)18-11-21(31)14-22(12-18)35-28-3-1-2-10-32-28/h1-16H
InChIKeyGJPCQTRKNXNSKC-UHFFFAOYSA-N
XLogP7.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
3-(6-isocyano-9-pyridin-2-ylcarbazol-2-yl)-5-pyridin-2-yloxybenzonitrile
CID 153421564
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole (CID 153421813) is 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole is Fc1ccc(-n2c3ccc(F)cc3c3ccc(-c4cc(F)cc(Oc5ccccn5)c4)cc32)nc1.
What is the InChIKey of 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is GJPCQTRKNXNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F3N3O/c29-19-5-8-25-24(15-19)23-7-4-17(13-26(23)34(25)27-9-6-20(30)16-33-27)18-11-21(31)14-22(12-18)35-28-3-1-2-10-32-28/h1-16H.
What are the key properties of 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole?
6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole has a molecular weight of 467.45 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 153421813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).