2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene

C109H111N5+4 — CID 160832487

About 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene

2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene (PubChem CID 160832487) has the molecular formula C109H111N5+4 and a molecular weight of 1491.12 g/mol. Its IUPAC name is 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene.

Molecular Properties

• Compound Name: 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene
• PubChem CID: 160832487
• Molecular Formula: C109H111N5+4
• Molecular Weight: 1491.12 g/mol
• Exact Mass: 1489.88
• IUPAC Name: 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene
• SMILES: Cc1cc2c(cc1-c1c3cc4c(cc3cc(C)[n+]1C)CCC4)C(C)(C)c1ccccc1-2.Cc1cc2c3ccccc3n(C(C)C)c2cc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3.Cc1cc2ccccc2cc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3.Cc1cccc2c1-c1c3c(c4c(cc3cc(C)[n+]1C)CCC4)C2(C)C
• InChI: InChI=1S/C30H31N2.C30H30N.C25H24N.C24H26N/c1-18(2)32-28-12-7-6-11-24(28)27-13-19(3)25(17-29(27)32)30-26-16-22-10-8-9-21(22)15-23(26)14-20(4)31(30)5;1-18-13-26-23-11-6-7-12-27(23)30(3,4)28(26)17-24(18)29-25-16-21-10-8-9-20(21)15-22(25)14-19(2)31(29)5;1-16-11-18-7-4-5-8-20(18)14-23(16)25-24-15-21-10-6-9-19(21)13-22(24)12-17(2)26(25)3;1-14-8-6-11-19-20(14)23-21-17(12-15(2)25(23)5)13-16-9-7-10-18(16)22(21)24(19,3)4/h6-7,11-18H,8-10H2,1-5H3;6-7,11-17H,8-10H2,1-5H3;4-5,7-8,11-15H,6,9-10H2,1-3H3;6,8,11-13H,7,9-10H2,1-5H3/q4*+1
• InChIKey: DSFOLNSDYUWJKT-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 20.45 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1491.12
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene?

The IUPAC name of 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene (CID 160832487) is 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene.

What is the SMILES notation for 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene?

The canonical SMILES for 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene is Cc1cc2c(cc1-c1c3cc4c(cc3cc(C)[n+]1C)CCC4)C(C)(C)c1ccccc1-2.Cc1cc2c3ccccc3n(C(C)C)c2cc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3.Cc1cc2ccccc2cc1-c1c2cc3c(cc2cc(C)[n+]1C)CCC3.Cc1cccc2c1-c1c3c(c4c(cc3cc(C)[n+]1C)CCC4)C2(C)C.

What is the InChIKey of 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene?

The InChIKey is DSFOLNSDYUWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2.C30H30N.C25H24N.C24H26N/c1-18(2)32-28-12-7-6-11-24(28)27-13-19(3)25(17-29(27)32)30-26-16-22-10-8-9-21(22)15-23(26)14-20(4)31(30)5;1-18-13-26-23-11-6-7-12-27(23)30(3,4)28(26)17-24(18)29-25-16-21-10-8-9-20(21)15-22(25)14-19(2)31(29)5;1-16-11-18-7-4-5-8-20(18)14-23(16)25-24-15-21-10-6-9-19(21)13-22(24)12-17(2)26(25)3;1-14-8-6-11-19-20(14)23-21-17(12-15(2)25(23)5)13-16-9-7-10-18(16)22(21)24(19,3)4/h6-7,11-18H,8-10H2,1-5H3;6-7,11-17H,8-10H2,1-5H3;4-5,7-8,11-15H,6,9-10H2,1-3H3;6,8,11-13H,7,9-10H2,1-5H3/q4*+1.

What are the key properties of 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene?

2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene has a molecular weight of 1491.12 g/mol, XLogP of 24.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium-1-yl)-3-methyl-9-propan-2-ylcarbazole;2,3-dimethyl-1-(3-methylnaphthalen-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;2,3-dimethyl-1-(3,9,9-trimethylfluoren-2-yl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium;10,11,14,19,19-pentamethyl-11-azoniapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13,15,17-octaene is sourced from PubChem (CID 160832487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).