2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile

C29H22N2 — CID 118927776

IUPAC2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C29H22N2/c1-18-9-8-10-19(17-30)28(18)31-24-14-7-5-12-22(24)26-25(31)16-15-21-20-11-4-6-13-23(20)29(2,3)27(21)26/h4-16H,1-3H3
InChIKeyLTVRVALKMNXSOI-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.27
Rot. Bonds1

About 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile

2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile (PubChem CID 118927776) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
PubChem CID118927776
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C
InChIInChI=1S/C29H22N2/c1-18-9-8-10-19(17-30)28(18)31-24-14-7-5-12-22(24)26-25(31)16-15-21-20-11-4-6-13-23(20)29(2,3)27(21)26/h4-16H,1-3H3
InChIKeyLTVRVALKMNXSOI-UHFFFAOYSA-N
XLogP7.27
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
CID 156680284
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
3,5-bis(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572260
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
CID 145009985
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile
CID 140794030
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432313
5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572256
4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543402

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile?
The IUPAC name of 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile (CID 118927776) is 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile.
What is the SMILES notation for 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile?
The canonical SMILES for 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile is Cc1cccc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.
What is the InChIKey of 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile?
The InChIKey is LTVRVALKMNXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-18-9-8-10-19(17-30)28(18)31-24-14-7-5-12-22(24)26-25(31)16-15-21-20-11-4-6-13-23(20)29(2,3)27(21)26/h4-16H,1-3H3.
What are the key properties of 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile?
2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile has a molecular weight of 398.51 g/mol, XLogP of 7.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile is sourced from PubChem (CID 118927776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).