9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile

C23H16FN3O — CID 71253851

IUPAC9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2CC(F)COc1ccccc1
InChIInChI=1S/C23H16FN3O/c24-18(15-28-19-4-2-1-3-5-19)14-27-22-8-6-16(12-25)10-20(22)21-11-17(13-26)7-9-23(21)27/h1-11,18H,14-15H2
InChIKeyFZZUVGFSVVHPGX-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.95
Rot. Bonds5

About 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile

9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile (PubChem CID 71253851) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
PubChem CID71253851
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2CC(F)COc1ccccc1
InChIInChI=1S/C23H16FN3O/c24-18(15-28-19-4-2-1-3-5-19)14-27-22-8-6-16(12-25)10-20(22)21-11-17(13-26)7-9-23(21)27/h1-11,18H,14-15H2
InChIKeyFZZUVGFSVVHPGX-UHFFFAOYSA-N
XLogP4.95
TPSA61.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dibromo-9-(2-fluoro-3-phenoxypropyl)carbazole
CID 52916775
9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
CID 71254092
2,3-difluoropropoxybenzene
CID 141126062
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
4-[(2S)-2-fluorohexoxy]benzonitrile
CID 139777723
9-(cyclopropylmethyl)carbazole-3-carbonitrile
CID 117368332
9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile
CID 175316624
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile
CID 42956062
2,3-difluorobutoxybenzene
CID 53412752

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile (CID 71253851) is 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2CC(F)COc1ccccc1.
What is the InChIKey of 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The InChIKey is FZZUVGFSVVHPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-18(15-28-19-4-2-1-3-5-19)14-27-22-8-6-16(12-25)10-20(22)21-11-17(13-26)7-9-23(21)27/h1-11,18H,14-15H2.
What are the key properties of 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile has a molecular weight of 369.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoro-3-phenoxypropyl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 71253851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).