2-carbazol-9-yl-3,5,6-trifluorobenzonitrile

C19H9F3N2 — CID 146406018

IUPAC2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
SMILESN#Cc1c(F)c(F)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H9F3N2/c20-14-9-15(21)19(13(10-23)18(14)22)24-16-7-3-1-5-11(16)12-6-2-4-8-17(12)24/h1-9H
InChIKeySJZXWXJMAUXKGP-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.07
Rot. Bonds1

About 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile

2-carbazol-9-yl-3,5,6-trifluorobenzonitrile (PubChem CID 146406018) has the molecular formula C19H9F3N2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
PubChem CID146406018
Molecular FormulaC19H9F3N2
Molecular Weight322.29 g/mol
Exact Mass322.07
IUPAC Name2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
SMILESN#Cc1c(F)c(F)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H9F3N2/c20-14-9-15(21)19(13(10-23)18(14)22)24-16-7-3-1-5-11(16)12-6-2-4-8-17(12)24/h1-9H
InChIKeySJZXWXJMAUXKGP-UHFFFAOYSA-N
XLogP5.07
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
4,6-di(carbazol-9-yl)-5-[2,6-di(carbazol-9-yl)-3,4,5-tricyanophenyl]benzene-1,2,3-tricarbonitrile
CID 129312900
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
2,3,4,5-tetra(carbazol-9-yl)-6-methylbenzonitrile
CID 152927198
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465
4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile
CID 140701568
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile?
The IUPAC name of 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile (CID 146406018) is 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile is N#Cc1c(F)c(F)cc(F)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile?
The InChIKey is SJZXWXJMAUXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F3N2/c20-14-9-15(21)19(13(10-23)18(14)22)24-16-7-3-1-5-11(16)12-6-2-4-8-17(12)24/h1-9H.
What are the key properties of 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile?
2-carbazol-9-yl-3,5,6-trifluorobenzonitrile has a molecular weight of 322.29 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3,5,6-trifluorobenzonitrile is sourced from PubChem (CID 146406018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).