2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile

C27H19N5 — CID 67472811

IUPAC2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc(C#N)c1C#N
InChIInChI=1S/C27H19N5/c1-27(2)20-10-6-4-8-16(20)18-12-13-19-17-9-5-7-11-22(17)32(25(19)24(18)27)26-30-21(14-28)23(15-29)31(26)3/h4-13H,1-3H3
InChIKeyNRCRYTJRGAZVRM-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.57
Rot. Bonds1

About 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile (PubChem CID 67472811) has the molecular formula C27H19N5 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile
PubChem CID67472811
Molecular FormulaC27H19N5
Molecular Weight413.48 g/mol
Exact Mass413.16
IUPAC Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc(C#N)c1C#N
InChIInChI=1S/C27H19N5/c1-27(2)20-10-6-4-8-16(20)18-12-13-19-17-9-5-7-11-22(17)32(25(19)24(18)27)26-30-21(14-28)23(15-29)31(26)3/h4-13H,1-3H3
InChIKeyNRCRYTJRGAZVRM-UHFFFAOYSA-N
XLogP5.57
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
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
4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-isocyano-1,3,5-triazine-2-carbonitrile
CID 87412129
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]boronic acid
CID 123843821
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-isocyano-1-methylimidazole-4-carbonitrile
CID 87412124
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626
4-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-[1]benzofuro[3,2-b]pyridin-3-yl]benzonitrile
CID 163511729
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(4-phenylquinolin-2-yl)phenyl]benzonitrile
CID 129225661
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile?
The IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile (CID 67472811) is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile is Cn1c(-n2c3ccccc3c3ccc4c(c32)C(C)(C)c2ccccc2-4)nc(C#N)c1C#N.
What is the InChIKey of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile?
The InChIKey is NRCRYTJRGAZVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5/c1-27(2)20-10-6-4-8-16(20)18-12-13-19-17-9-5-7-11-22(17)32(25(19)24(18)27)26-30-21(14-28)23(15-29)31(26)3/h4-13H,1-3H3.
What are the key properties of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile?
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile has a molecular weight of 413.48 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1-methylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 67472811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).