1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium

C31H29N2+ — CID 160742656

IUPAC1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium
SMILESCc1cc(C)c(-n2c(-c3ccccc3C)[n+](C)c3c4c(ccc32)Cc2ccccc2-4)c(C)c1
InChIInChI=1S/C31H29N2/c1-19-16-21(3)29(22(4)17-19)33-27-15-14-24-18-23-11-7-9-13-26(23)28(24)30(27)32(5)31(33)25-12-8-6-10-20(25)2/h6-17H,18H2,1-5H3/q+1
InChIKeyPIRFSYFELJVONK-UHFFFAOYSA-N
MW429.59 g/mol
LogP6.93
Rot. Bonds2

About 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium

1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium (PubChem CID 160742656) has the molecular formula C31H29N2+ and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium
PubChem CID160742656
Molecular FormulaC31H29N2+
Molecular Weight429.59 g/mol
Exact Mass429.23
IUPAC Name1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium
SMILESCc1cc(C)c(-n2c(-c3ccccc3C)[n+](C)c3c4c(ccc32)Cc2ccccc2-4)c(C)c1
InChIInChI=1S/C31H29N2/c1-19-16-21(3)29(22(4)17-19)33-27-15-14-24-18-23-11-7-9-13-26(23)28(24)30(27)32(5)31(33)25-12-8-6-10-20(25)2/h6-17H,18H2,1-5H3/q+1
InChIKeyPIRFSYFELJVONK-UHFFFAOYSA-N
XLogP6.93
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium 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

3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
CID 140708142
2-methyl-1-(2-methylphenyl)-5H-indeno[1,2-c]pyridin-2-ium
CID 59583170
1-ethyl-4,5-dimethyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-1-ium
CID 123438117
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
CID 165012319
2,5-dimethyl-10-phenyl-7-(trideuteriomethyl)-10-aza-5-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 157122919
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene
CID 167630756
4-chloro-2-methyl-9H-fluorene
CID 19800357
12-[2,6-di(propan-2-yl)phenyl]-5,14-dimethyl-13-(2-methylphenyl)-6,12-diaza-14-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,5,9,11(15),13-heptaene
CID 158505388
4,5-dimethyl-9H-fluorene
CID 14389533
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
CID 174651733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium (CID 160742656) is 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium is Cc1cc(C)c(-n2c(-c3ccccc3C)[n+](C)c3c4c(ccc32)Cc2ccccc2-4)c(C)c1.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium?
The InChIKey is PIRFSYFELJVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N2/c1-19-16-21(3)29(22(4)17-19)33-27-15-14-24-18-23-11-7-9-13-26(23)28(24)30(27)32(5)31(33)25-12-8-6-10-20(25)2/h6-17H,18H2,1-5H3/q+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium?
1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium has a molecular weight of 429.59 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium is sourced from PubChem (CID 160742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).