4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium

C38H45N2+ — CID 140964922

IUPAC4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1-c1c(C)cccc1C)-c1ccccc1C2(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H45N2/c1-26-16-11-13-24-33(26)39-29(4)36-38(30-19-7-5-8-20-30,31-21-9-6-10-22-31)32-23-12-14-25-34(32)40(36)37(39)35-27(2)17-15-18-28(35)3/h11-18,23-25,30-31H,5-10,19-22H2,1-4H3/q+1
InChIKeyOMWRSMZIMWVPAR-UHFFFAOYSA-N
MW529.79 g/mol
LogP9.41
Rot. Bonds4

About 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium

4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium (PubChem CID 140964922) has the molecular formula C38H45N2+ and a molecular weight of 529.79 g/mol. Its IUPAC name is 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium.

Molecular Properties

Compound Name4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
PubChem CID140964922
Molecular FormulaC38H45N2+
Molecular Weight529.79 g/mol
Exact Mass529.36
IUPAC Name4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
SMILESCc1ccccc1-n1c(C)c2[n+](c1-c1c(C)cccc1C)-c1ccccc1C2(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H45N2/c1-26-16-11-13-24-33(26)39-29(4)36-38(30-19-7-5-8-20-30,31-21-9-6-10-22-31)32-23-12-14-25-34(32)40(36)37(39)35-27(2)17-15-18-28(35)3/h11-18,23-25,30-31H,5-10,19-22H2,1-4H3/q+1
InChIKeyOMWRSMZIMWVPAR-UHFFFAOYSA-N
XLogP9.41
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.79
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-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

1,4,4-tricyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964659
4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964900
7,7-dicyclopentyl-3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964867
4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964885
4-cyclohexyl-2-(2,6-dimethylphenyl)-5-methyl-1-(2-methylphenyl)-3-phenylimidazol-1-ium
CID 140964760
1-cyclohexyl-2-(2,6-dimethylphenyl)-4-methyl-3-(2-methylphenyl)-5-phenylimidazol-1-ium
CID 140965151
3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964909
5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
5-cyclohexyl-1-methyl-2-(2-methylphenyl)-3,5-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964451
5-cyclopentyl-5-deuterio-3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)imidazo[5,1-a]isoindol-4-ium
CID 140964758
3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-7,7-diphenylpyrrolo[1,2-c]imidazol-4-ium
CID 140965056
5-cyclohexyl-3-cyclopentyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964665

Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The IUPAC name of 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium (CID 140964922) is 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium.
What is the SMILES notation for 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The canonical SMILES for 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium is Cc1ccccc1-n1c(C)c2[n+](c1-c1c(C)cccc1C)-c1ccccc1C2(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
The InChIKey is OMWRSMZIMWVPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N2/c1-26-16-11-13-24-33(26)39-29(4)36-38(30-19-7-5-8-20-30,31-21-9-6-10-22-31)32-23-12-14-25-34(32)40(36)37(39)35-27(2)17-15-18-28(35)3/h11-18,23-25,30-31H,5-10,19-22H2,1-4H3/q+1.
What are the key properties of 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium?
4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium has a molecular weight of 529.79 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium is sourced from PubChem (CID 140964922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).