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

C130H129N10+5 — CID 159911528

IUPAC4-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
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1.[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)c1ccccc1.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C1CCCC1)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H27N2.C30H31N2.C25H23N2.C24H27N2.C20H21N2/c1-22-14-10-12-20-28(22)32-23(2)30-31(25-15-6-4-7-16-25,26-17-8-5-9-18-26)27-19-11-13-21-29(27)33(30)24(32)3;1-21-13-7-11-19-27(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;1-17-11-7-9-15-22(17)26-18(2)25-24(20-12-5-4-6-13-20)21-14-8-10-16-23(21)27(25)19(26)3;1-16-10-4-8-14-21(16)25-17(2)24-23(19-11-5-6-12-19)20-13-7-9-15-22(20)26(24)18(25)3;1-13-9-5-7-11-18(13)21-15(3)20-14(2)17-10-6-8-12-19(17)22(20)16(21)4/h4-21H,1-3H3;4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3;4-16,24H,1-3H3;4,7-10,13-15,19,23H,5-6,11-12H2,1-3H3;5-12,14H,1-4H3/q5*+1/i2*3D3;3D3,24D;3D3,23D;4D3,14D
InChIKeyWQRKQPHWQAHOQF-BHUFOGRYSA-N
MW1849.64 g/mol
LogP27.52
Rot. Bonds16

About 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

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 (PubChem CID 159911528) has the molecular formula C130H129N10+5 and a molecular weight of 1849.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159911528
Molecular FormulaC130H129N10+5
Molecular Weight1849.64 g/mol
Exact Mass1848.15
IUPAC Name4-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
SMILES[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1.[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)c1ccccc1.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C1CCCC1)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H27N2.C30H31N2.C25H23N2.C24H27N2.C20H21N2/c1-22-14-10-12-20-28(22)32-23(2)30-31(25-15-6-4-7-16-25,26-17-8-5-9-18-26)27-19-11-13-21-29(27)33(30)24(32)3;1-21-13-7-11-19-27(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;1-17-11-7-9-15-22(17)26-18(2)25-24(20-12-5-4-6-13-20)21-14-8-10-16-23(21)27(25)19(26)3;1-16-10-4-8-14-21(16)25-17(2)24-23(19-11-5-6-12-19)20-13-7-9-15-22(20)26(24)18(25)3;1-13-9-5-7-11-18(13)21-15(3)20-14(2)17-10-6-8-12-19(17)22(20)16(21)4/h4-21H,1-3H3;4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3;4-16,24H,1-3H3;4,7-10,13-15,19,23H,5-6,11-12H2,1-3H3;5-12,14H,1-4H3/q5*+1/i2*3D3;3D3,24D;3D3,23D;4D3,14D
InChIKeyWQRKQPHWQAHOQF-BHUFOGRYSA-N
XLogP27.52
TPSA44.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001849.64
LogP ≤ 527.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)C1CCCC1.[2H]C([2H])([2H])c1n(-c2ccccc2C)c(C)c2[n+]1-c1ccccc1C2(c1ccccc1)c1ccccc1.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(C1CCCC1)c1ccccc1-2.[2H]C([2H])([2H])c1n2c(c(C)[n+]1-c1ccccc1C)C([2H])(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is WQRKQPHWQAHOQF-BHUFOGRYSA-N. The full InChI is InChI=1S/C31H27N2.C30H31N2.C25H23N2.C24H27N2.C20H21N2/c1-22-14-10-12-20-28(22)32-23(2)30-31(25-15-6-4-7-16-25,26-17-8-5-9-18-26)27-19-11-13-21-29(27)33(30)24(32)3;1-21-13-7-11-19-27(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;1-17-11-7-9-15-22(17)26-18(2)25-24(20-12-5-4-6-13-20)21-14-8-10-16-23(21)27(25)19(26)3;1-16-10-4-8-14-21(16)25-17(2)24-23(19-11-5-6-12-19)20-13-7-9-15-22(20)26(24)18(25)3;1-13-9-5-7-11-18(13)21-15(3)20-14(2)17-10-6-8-12-19(17)22(20)16(21)4/h4-21H,1-3H3;4-7,10-15,18-20,25H,8-9,16-17H2,1-3H3;4-16,24H,1-3H3;4,7-10,13-15,19,23H,5-6,11-12H2,1-3H3;5-12,14H,1-4H3/q5*+1/i2*3D3;3D3,24D;3D3,23D;4D3,14D.
What are the key properties of 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?
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 has a molecular weight of 1849.64 g/mol, XLogP of 27.52, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).