2-(3,6-dimethylcarbazol-9-yl)benzonitrile

C21H16N2 — CID 175004217

IUPAC2-(3,6-dimethylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1C#N
InChIInChI=1S/C21H16N2/c1-14-7-9-20-17(11-14)18-12-15(2)8-10-21(18)23(20)19-6-4-3-5-16(19)13-22/h3-12H,1-2H3
InChIKeyDFIHTKATCBYIJW-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds1

About 2-(3,6-dimethylcarbazol-9-yl)benzonitrile

2-(3,6-dimethylcarbazol-9-yl)benzonitrile (PubChem CID 175004217) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,6-dimethylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(3,6-dimethylcarbazol-9-yl)benzonitrile
PubChem CID175004217
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name2-(3,6-dimethylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1C#N
InChIInChI=1S/C21H16N2/c1-14-7-9-20-17(11-14)18-12-15(2)8-10-21(18)23(20)19-6-4-3-5-16(19)13-22/h3-12H,1-2H3
InChIKeyDFIHTKATCBYIJW-UHFFFAOYSA-N
XLogP5.27
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile
CID 146652846
2-[3,6-bis[3,5-bis(4-deuteriophenyl)phenyl]carbazol-9-yl]benzonitrile
CID 169284925
2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]benzonitrile
CID 169284889
2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 122430895
4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759106
2-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzonitrile
CID 171431279
2-[1-(9-cyclohexa-1,3-dien-1-ylcarbazol-1-yl)-6-methylcarbazol-9-yl]benzonitrile
CID 146181936
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
CID 174343626

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2-(3,6-dimethylcarbazol-9-yl)benzonitrile (CID 175004217) is 2-(3,6-dimethylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-(3,6-dimethylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-(3,6-dimethylcarbazol-9-yl)benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1C#N.
What is the InChIKey of 2-(3,6-dimethylcarbazol-9-yl)benzonitrile?
The InChIKey is DFIHTKATCBYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-14-7-9-20-17(11-14)18-12-15(2)8-10-21(18)23(20)19-6-4-3-5-16(19)13-22/h3-12H,1-2H3.
What are the key properties of 2-(3,6-dimethylcarbazol-9-yl)benzonitrile?
2-(3,6-dimethylcarbazol-9-yl)benzonitrile has a molecular weight of 296.37 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 175004217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).