2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane

C23H22N2 — CID 144984345

IUPAC2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
SMILESCC.Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C21H16N2.C2H6/c1-14-11-16(13-22)21(12-15(14)2)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;1-2/h3-12H,1-2H3;1-2H3
InChIKeyDJXRZQUWRLIHRU-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.30
Rot. Bonds1

About 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane

2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane (PubChem CID 144984345) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane.

Molecular Properties

Compound Name2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
PubChem CID144984345
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
SMILESCC.Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C21H16N2.C2H6/c1-14-11-16(13-22)21(12-15(14)2)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;1-2/h3-12H,1-2H3;1-2H3
InChIKeyDJXRZQUWRLIHRU-UHFFFAOYSA-N
XLogP6.30
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
2,5-bis(4-carbazol-9-yl-3-methylphenyl)-3,6-bis(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2-(4-carbazol-9-yl-3-methylphenyl)-3,5,6-tris(4-carbazol-9-ylphenyl)benzene-1,4-dicarbonitrile;2,3,5,6-tetrakis(4-carbazol-9-yl-3-methylphenyl)benzene-1,4-dicarbonitrile
CID 160585652
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
2-(2-tert-butylcarbazol-9-yl)-4-[3-(2-tert-butylcarbazol-9-yl)-4-cyanophenyl]benzonitrile
CID 138736013
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
2,5-bis(23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaen-23-yl)-4-isocyanobenzonitrile
CID 153462054
2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
CID 142753936
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane?
The IUPAC name of 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane (CID 144984345) is 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane.
What is the SMILES notation for 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane?
The canonical SMILES for 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane is CC.Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane?
The InChIKey is DJXRZQUWRLIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C2H6/c1-14-11-16(13-22)21(12-15(14)2)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;1-2/h3-12H,1-2H3;1-2H3.
What are the key properties of 2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane?
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane has a molecular weight of 326.44 g/mol, XLogP of 6.30, 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-4,5-dimethylbenzonitrile;ethane is sourced from PubChem (CID 144984345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).