6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium

C147H145N14+7 — CID 157463699

About 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium

6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium (PubChem CID 157463699) has the molecular formula C147H145N14+7 and a molecular weight of 2107.87 g/mol. Its IUPAC name is 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium.

Molecular Properties

• Compound Name: 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium
• PubChem CID: 157463699
• Molecular Formula: C147H145N14+7
• Molecular Weight: 2107.87 g/mol
• Exact Mass: 2106.17
• IUPAC Name: 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium
• SMILES: Cc1cc(C)c(C)c(-c2c3c(nc[n+]2C)-c2ccccc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ccc(C)nc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2cccnc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ccncc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2cnccc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ncccc2C3)c1.Cc1ccc(C)c(-c2c3c(nc[n+]2C)-c2cccc(C4CCCC4)c2C3)c1
• InChI: InChI=1S/C25H27N2.2C21H21N2.4C20H19N2/c1-16-11-12-17(2)21(13-16)25-23-14-22-19(18-7-4-5-8-18)9-6-10-20(22)24(23)26-15-27(25)3;1-13-5-6-14(2)18(11-13)21-19-12-20-17(8-7-15(3)22-20)16(19)9-10-23(21)4;1-13-9-14(2)15(3)18(10-13)21-19-11-16-7-5-6-8-17(16)20(19)22-12-23(21)4;1-13-4-5-14(2)18(10-13)20-19-11-15-12-21-8-6-16(15)17(19)7-9-22(20)3;1-13-4-5-14(2)17(10-13)20-18-11-15-6-8-21-12-19(15)16(18)7-9-22(20)3;1-13-6-7-14(2)17(11-13)20-18-12-19-16(5-4-9-21-19)15(18)8-10-22(20)3;1-13-6-7-14(2)17(11-13)20-18-12-15-5-4-9-21-19(15)16(18)8-10-22(20)3/h6,9-13,15,18H,4-5,7-8,14H2,1-3H3;5-11H,12H2,1-4H3;5-10,12H,11H2,1-4H3;2*4-10,12H,11H2,1-3H3;2*4-11H,12H2,1-3H3/q7*+1
• InChIKey: BQMIORVKIMMGML-UHFFFAOYSA-N
• XLogP: 28.60
• TPSA: 117.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2107.87
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium?

The IUPAC name of 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium (CID 157463699) is 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium.

What is the SMILES notation for 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium?

The canonical SMILES for 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium is Cc1cc(C)c(C)c(-c2c3c(nc[n+]2C)-c2ccccc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ccc(C)nc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2cccnc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ccncc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2cnccc2C3)c1.Cc1ccc(C)c(-c2c3c(cc[n+]2C)-c2ncccc2C3)c1.Cc1ccc(C)c(-c2c3c(nc[n+]2C)-c2cccc(C4CCCC4)c2C3)c1.

What is the InChIKey of 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium?

The InChIKey is BQMIORVKIMMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2.2C21H21N2.4C20H19N2/c1-16-11-12-17(2)21(13-16)25-23-14-22-19(18-7-4-5-8-18)9-6-10-20(22)24(23)26-15-27(25)3;1-13-5-6-14(2)18(11-13)21-19-12-20-17(8-7-15(3)22-20)16(19)9-10-23(21)4;1-13-9-14(2)15(3)18(10-13)21-19-11-16-7-5-6-8-17(16)20(19)22-12-23(21)4;1-13-4-5-14(2)18(10-13)20-19-11-15-12-21-8-6-16(15)17(19)7-9-22(20)3;1-13-4-5-14(2)17(10-13)20-18-11-15-6-8-21-12-19(15)16(18)7-9-22(20)3;1-13-6-7-14(2)17(11-13)20-18-12-19-16(5-4-9-21-19)15(18)8-10-22(20)3;1-13-6-7-14(2)17(11-13)20-18-12-15-5-4-9-21-19(15)16(18)8-10-22(20)3/h6,9-13,15,18H,4-5,7-8,14H2,1-3H3;5-11H,12H2,1-4H3;5-10,12H,11H2,1-4H3;2*4-10,12H,11H2,1-3H3;2*4-11H,12H2,1-3H3/q7*+1.

What are the key properties of 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium?

6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium has a molecular weight of 2107.87 g/mol, XLogP of 28.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-4-(2,5-dimethylphenyl)-3-methyl-5H-indeno[1,2-d]pyrimidin-3-ium;6-(2,5-dimethylphenyl)-5,11-dimethyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-(2,5-dimethylphenyl)-5-methyl-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-(2,5-dimethylphenyl)-11-methyl-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-methyl-4-(2,3,5-trimethylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium is sourced from PubChem (CID 157463699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).