4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium

C30H31N2+ — CID 140964885

IUPAC4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1
InChIInChI=1S/C30H31N2/c1-21-13-7-11-19-27(21)31-22(2)29-30(25-16-8-9-17-25,24-14-5-4-6-15-24)26-18-10-12-20-28(26)32(29)23(31)3/h4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3/q+1/i3D3
InChIKeyPNQLCCCKLKTQPO-HPRDVNIFSA-N
MW422.61 g/mol
LogP6.52
Rot. Bonds4

About 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium

4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium (PubChem CID 140964885) has the molecular formula C30H31N2+ and a molecular weight of 422.61 g/mol. Its IUPAC name is 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium.

Molecular Properties

Compound Name4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
PubChem CID140964885
Molecular FormulaC30H31N2+
Molecular Weight422.61 g/mol
Exact Mass422.27
IUPAC Name4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1
InChIInChI=1S/C30H31N2/c1-21-13-7-11-19-27(21)31-22(2)29-30(25-16-8-9-17-25,24-14-5-4-6-15-24)26-18-10-12-20-28(26)32(29)23(31)3/h4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3/q+1/i3D3
InChIKeyPNQLCCCKLKTQPO-HPRDVNIFSA-N
XLogP6.52
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)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

3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 140964909
4-cyclohexyl-1,3,4-trimethyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964900
4-cyclopentyl-4-deuterio-3-methyl-2-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium;4-deuterio-3,4-dimethyl-2-(2-methylphenyl)-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;4-deuterio-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-2-ium;3-methyl-2-(2-methylphenyl)-4,4-diphenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium
CID 159911528
1,4,4-tricyclohexyl-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964659
4,4-dicyclohexyl-1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)imidazo[1,5-a]indol-9-ium
CID 140964922
4-cyclohexyl-1-deuterio-3-methyl-2-(2-methylphenyl)-4-phenylimidazo[1,5-a]indol-2-ium
CID 140965039
5-cyclohexyl-1,4-dimethyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazol-1-ium
CID 140964687
5-cyclohexyl-1,3-dimethyl-2-(2-methylphenyl)-5-phenylpyrrolo[1,2-c]imidazol-4-ium
CID 140964587
1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3-(trideuteriomethyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964404
5,5-dicyclohexyl-1,3-dimethyl-2-(2-methylphenyl)pyrrolo[1,2-c]imidazol-4-ium
CID 140964973
4-cyclopentyl-5-methyl-1-(2-methylphenyl)-3-phenyl-2-(trideuteriomethyl)imidazol-1-ium
CID 140964684
9-cyclopentyl-9-phenylfluorene
CID 59853281

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium?
The IUPAC name of 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium (CID 140964885) is 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium.
What is the SMILES notation for 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium?
The canonical SMILES for 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium is [2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium?
The InChIKey is PNQLCCCKLKTQPO-HPRDVNIFSA-N. The full InChI is InChI=1S/C30H31N2/c1-21-13-7-11-19-27(21)31-22(2)29-30(25-16-8-9-17-25,24-14-5-4-6-15-24)26-18-10-12-20-28(26)32(29)23(31)3/h4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3/q+1/i3D3.
What are the key properties of 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium?
4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium has a molecular weight of 422.61 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-methyl-2-(2-methylphenyl)-4-phenyl-1-(trideuteriomethyl)imidazo[1,5-a]indol-9-ium is sourced from PubChem (CID 140964885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).