8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine

C134H128FN10+5 — CID 158088642

About 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine

8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine (PubChem CID 158088642) has the molecular formula C134H128FN10+5 and a molecular weight of 1897.57 g/mol. Its IUPAC name is 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine.

Molecular Properties

• Compound Name: 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine
• PubChem CID: 158088642
• Molecular Formula: C134H128FN10+5
• Molecular Weight: 1897.57 g/mol
• Exact Mass: 1896.03
• IUPAC Name: 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine
• SMILES: Cc1cc(-c2c(C)ccc3c2C2(CCCC2)c2ncccc2-3)[n+](C)cc1-c1ccc(F)cc1.Cc1ccc2c(c1-c1c3ccccc3cc[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1cc3ccccc3c[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1ccc3c(CC(C)C)cccc3[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)C(C)(C)c1ncccc1-2
• InChI: InChI=1S/C30H28FN2.C29H31N2.3C25H23N2/c1-19-8-13-23-24-7-6-16-32-29(24)30(14-4-5-15-30)28(23)27(19)26-17-20(2)25(18-33(26)3)21-9-11-22(31)12-10-21;1-18(2)17-20-9-7-11-24-21(20)14-15-25(31(24)6)26-19(3)12-13-22-23-10-8-16-30-28(23)29(4,5)27(22)26;1-16-11-13-18-19-9-7-15-26-24(19)25(2,3)23(18)22(16)21-14-12-17-8-5-6-10-20(17)27(21)4;1-16-11-12-19-20-10-7-14-26-24(20)25(2,3)22(19)21(16)23-18-9-6-5-8-17(18)13-15-27(23)4;1-16-11-12-19-20-10-7-13-26-24(20)25(2,3)23(19)22(16)21-14-17-8-5-6-9-18(17)15-27(21)4/h6-13,16-18H,4-5,14-15H2,1-3H3;7-16,18H,17H2,1-6H3;3*5-15H,1-4H3/q5*+1
• InChIKey: WMAPVPUKTASOFC-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 83.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1897.57
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine?

The IUPAC name of 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine (CID 158088642) is 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine.

What is the SMILES notation for 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine?

The canonical SMILES for 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine is Cc1cc(-c2c(C)ccc3c2C2(CCCC2)c2ncccc2-3)[n+](C)cc1-c1ccc(F)cc1.Cc1ccc2c(c1-c1c3ccccc3cc[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1cc3ccccc3c[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1ccc3c(CC(C)C)cccc3[n+]1C)C(C)(C)c1ncccc1-2.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)C(C)(C)c1ncccc1-2.

What is the InChIKey of 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine?

The InChIKey is WMAPVPUKTASOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN2.C29H31N2.3C25H23N2/c1-19-8-13-23-24-7-6-16-32-29(24)30(14-4-5-15-30)28(23)27(19)26-17-20(2)25(18-33(26)3)21-9-11-22(31)12-10-21;1-18(2)17-20-9-7-11-24-21(20)14-15-25(31(24)6)26-19(3)12-13-22-23-10-8-16-30-28(23)29(4,5)27(22)26;1-16-11-13-18-19-9-7-15-26-24(19)25(2,3)23(18)22(16)21-14-12-17-8-5-6-10-20(17)27(21)4;1-16-11-12-19-20-10-7-14-26-24(20)25(2,3)22(19)21(16)23-18-9-6-5-8-17(18)13-15-27(23)4;1-16-11-12-19-20-10-7-13-26-24(20)25(2,3)23(19)22(16)21-14-17-8-5-6-9-18(17)15-27(21)4/h6-13,16-18H,4-5,14-15H2,1-3H3;7-16,18H,17H2,1-6H3;3*5-15H,1-4H3/q5*+1.

What are the key properties of 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine?

8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine has a molecular weight of 1897.57 g/mol, XLogP of 29.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-7'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-1-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine;7,9,9-trimethyl-8-[1-methyl-5-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine;7,9,9-trimethyl-8-(1-methylquinolin-1-ium-2-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 158088642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).