2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile

C25H17N3 — CID 145009985

IUPAC2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1c(C#N)cccc1C#N
InChIInChI=1S/C25H17N3/c1-25(2)20-12-5-3-10-18(20)24-22(25)19-11-4-6-13-21(19)28(24)23-16(14-26)8-7-9-17(23)15-27/h3-13H,1-2H3
InChIKeyUCWSWZRCAVPWLC-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.68
Rot. Bonds1

About 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile

2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 145009985) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID145009985
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1c(C#N)cccc1C#N
InChIInChI=1S/C25H17N3/c1-25(2)20-12-5-3-10-18(20)24-22(25)19-11-4-6-13-21(19)28(24)23-16(14-26)8-7-9-17(23)15-27/h3-13H,1-2H3
InChIKeyUCWSWZRCAVPWLC-UHFFFAOYSA-N
XLogP5.68
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
CID 118927776
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 164771283
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 140705041
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
10,10-dimethyl-5-(1-phenylbenzimidazol-4-yl)indeno[1,2-b]indole
CID 121285583
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile (CID 145009985) is 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1c(C#N)cccc1C#N.
What is the InChIKey of 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is UCWSWZRCAVPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-25(2)20-12-5-3-10-18(20)24-22(25)19-11-4-6-13-21(19)28(24)23-16(14-26)8-7-9-17(23)15-27/h3-13H,1-2H3.
What are the key properties of 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile?
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 359.43 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).