5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile

C21H11N3O — CID 155676296

IUPAC5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(C(=O)n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H11N3O/c22-12-14-9-15(13-23)11-16(10-14)21(25)24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-11H
InChIKeyYIBKNTUADUUECA-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.23
Rot. Bonds1

About 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile

5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile (PubChem CID 155676296) has the molecular formula C21H11N3O and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile
PubChem CID155676296
Molecular FormulaC21H11N3O
Molecular Weight321.34 g/mol
Exact Mass321.09
IUPAC Name5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(C(=O)n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C21H11N3O/c22-12-14-9-15(13-23)11-16(10-14)21(25)24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-11H
InChIKeyYIBKNTUADUUECA-UHFFFAOYSA-N
XLogP4.23
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087
(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
4-(2-oxo-1,3-benzothiazole-3-carbonyl)benzonitrile
CID 102125739
5-[2,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129312878
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
carbazole-9-carbonyl fluoride
CID 45082000
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298

Frequently Asked Questions

What is the IUPAC name of 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile (CID 155676296) is 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(C(=O)n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile?
The InChIKey is YIBKNTUADUUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N3O/c22-12-14-9-15(13-23)11-16(10-14)21(25)24-19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-11H.
What are the key properties of 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile?
5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile has a molecular weight of 321.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazole-9-carbonyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155676296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).