6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

C120H112N12+6 — CID 158626258

About 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 158626258) has the molecular formula C120H112N12+6 and a molecular weight of 1722.30 g/mol. Its IUPAC name is 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

Molecular Properties

• Compound Name: 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
• PubChem CID: 158626258
• Molecular Formula: C120H112N12+6
• Molecular Weight: 1722.30 g/mol
• Exact Mass: 1720.91
• IUPAC Name: 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
• SMILES: Cc1ccc2c(n1)Cc1c[n+](C)c(-c3ccccc3C)cc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1cccnc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1ccncc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1cnccc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1ncccc1-2.Cc1ccccc1-c1nc2c(c[n+]1C)Cc1c-2cccc1C1CCCC1
• InChI: InChI=1S/C24H25N2.C20H19N2.4C19H17N2/c1-16-8-3-6-11-19(16)24-25-23-18(15-26(24)2)14-22-20(12-7-13-21(22)23)17-9-4-5-10-17;1-13-6-4-5-7-16(13)20-11-18-15(12-22(20)3)10-19-17(18)9-8-14(2)21-19;1-13-6-3-4-8-16(13)18-11-17-15(12-21(18)2)10-14-7-5-9-20-19(14)17;1-13-6-3-4-7-15(13)19-11-17-14(12-21(19)2)10-18-16(17)8-5-9-20-18;1-13-5-3-4-6-16(13)19-10-18-15(12-21(19)2)9-14-11-20-8-7-17(14)18;1-13-5-3-4-6-16(13)19-10-17-15(12-21(19)2)9-14-7-8-20-11-18(14)17/h3,6-8,11-13,15,17H,4-5,9-10,14H2,1-2H3;4-9,11-12H,10H2,1-3H3;2*3-9,11-12H,10H2,1-2H3;2*3-8,10-12H,9H2,1-2H3/q6*+1
• InChIKey: FTAJXPRKKLCXOZ-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 100.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1722.30
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The IUPAC name of 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 158626258) is 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

What is the SMILES notation for 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The canonical SMILES for 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is Cc1ccc2c(n1)Cc1c[n+](C)c(-c3ccccc3C)cc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1cccnc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1ccncc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1cnccc1-2.Cc1ccccc1-c1cc2c(c[n+]1C)Cc1ncccc1-2.Cc1ccccc1-c1nc2c(c[n+]1C)Cc1c-2cccc1C1CCCC1.

What is the InChIKey of 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

The InChIKey is FTAJXPRKKLCXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2.C20H19N2.4C19H17N2/c1-16-8-3-6-11-19(16)24-25-23-18(15-26(24)2)14-22-20(12-7-13-21(22)23)17-9-4-5-10-17;1-13-6-4-5-7-16(13)20-11-18-15(12-22(20)3)10-19-17(18)9-8-14(2)21-19;1-13-6-3-4-8-16(13)18-11-17-15(12-21(18)2)10-14-7-5-9-20-19(14)17;1-13-6-3-4-7-15(13)19-11-17-14(12-21(19)2)10-18-16(17)8-5-9-20-18;1-13-5-3-4-6-16(13)19-10-18-15(12-21(19)2)9-14-11-20-8-7-17(14)18;1-13-5-3-4-6-16(13)19-10-17-15(12-21(19)2)9-14-7-8-20-11-18(14)17/h3,6-8,11-13,15,17H,4-5,9-10,14H2,1-2H3;4-9,11-12H,10H2,1-3H3;2*3-9,11-12H,10H2,1-2H3;2*3-8,10-12H,9H2,1-2H3/q6*+1.

What are the key properties of 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?

6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene has a molecular weight of 1722.30 g/mol, XLogP of 22.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-3-methyl-2-(2-methylphenyl)-5H-indeno[1,2-d]pyrimidin-3-ium;5,11-dimethyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-methyl-4-(2-methylphenyl)-11-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;11-methyl-12-(2-methylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;11-methyl-12-(2-methylphenyl)-4-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 158626258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).