2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile

C29H19N3 — CID 145009902

IUPAC2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4c(C#N)cccc4C#N)c3c21
InChIInChI=1S/C29H19N3/c1-29(2)24-12-5-3-10-20(24)22-14-15-23-21-11-4-6-13-25(21)32(28(23)26(22)29)27-18(16-30)8-7-9-19(27)17-31/h3-15H,1-2H3
InChIKeyWGWAJFYDFCBZGY-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.83
Rot. Bonds1

About 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile (PubChem CID 145009902) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
PubChem CID145009902
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4c(C#N)cccc4C#N)c3c21
InChIInChI=1S/C29H19N3/c1-29(2)24-12-5-3-10-20(24)22-14-15-23-21-11-4-6-13-25(21)32(28(23)26(22)29)27-18(16-30)8-7-9-19(27)17-31/h3-15H,1-2H3
InChIKeyWGWAJFYDFCBZGY-UHFFFAOYSA-N
XLogP6.83
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
CID 145009985
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile
CID 67472811
2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
CID 118927776
4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 155064412
4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 87412129
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
13-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-11-carbonitrile
CID 168759650
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile (CID 145009902) is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4c(C#N)cccc4C#N)c3c21.
What is the InChIKey of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile?
The InChIKey is WGWAJFYDFCBZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-29(2)24-12-5-3-10-20(24)22-14-15-23-21-11-4-6-13-25(21)32(28(23)26(22)29)27-18(16-30)8-7-9-19(27)17-31/h3-15H,1-2H3.
What are the key properties of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile?
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile has a molecular weight of 409.49 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).