bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

C96H100N8+4 — CID 159586960

About bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (PubChem CID 159586960) has the molecular formula C96H100N8+4 and a molecular weight of 1365.91 g/mol. Its IUPAC name is bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

Molecular Properties

• Compound Name: bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• PubChem CID: 159586960
• Molecular Formula: C96H100N8+4
• Molecular Weight: 1365.91 g/mol
• Exact Mass: 1364.80
• IUPAC Name: bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• SMILES: CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1.Cc1cc2c(cc1-c1cccc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1
• InChI: InChI=1S/C25H27N2.2C24H25N2.C23H23N2/c1-4-18-9-13-27(3)23(15-18)20-16-22-21(14-17(20)2)19-8-7-12-26-24(19)25(22)10-5-6-11-25;2*1-16-8-12-26(3)22(13-16)19-15-21-20(14-17(19)2)18-7-6-11-25-23(18)24(21)9-4-5-10-24;1-16-14-19-17-8-7-12-24-22(17)23(10-4-5-11-23)20(19)15-18(16)21-9-3-6-13-25(21)2/h7-9,12-16H,4-6,10-11H2,1-3H3;2*6-8,11-15H,4-5,9-10H2,1-3H3;3,6-9,12-15H,4-5,10-11H2,1-2H3/q4*+1
• InChIKey: XSPBBFYNBHIJQX-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 67.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.91
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The IUPAC name of bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (CID 159586960) is bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

What is the SMILES notation for bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The canonical SMILES for bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1.Cc1cc2c(cc1-c1cccc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2cccnc2C32CCCC2)c1.

What is the InChIKey of bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The InChIKey is XSPBBFYNBHIJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2.2C24H25N2.C23H23N2/c1-4-18-9-13-27(3)23(15-18)20-16-22-21(14-17(20)2)19-8-7-12-26-24(19)25(22)10-5-6-11-25;2*1-16-8-12-26(3)22(13-16)19-15-21-20(14-17(19)2)18-7-6-11-25-23(18)24(21)9-4-5-10-24;1-16-14-19-17-8-7-12-24-22(17)23(10-4-5-11-23)20(19)15-18(16)21-9-3-6-13-25(21)2/h7-9,12-16H,4-6,10-11H2,1-3H3;2*6-8,11-15H,4-5,9-10H2,1-3H3;3,6-9,12-15H,4-5,10-11H2,1-2H3/q4*+1.

What are the key properties of bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] has a molecular weight of 1365.91 g/mol, XLogP of 20.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 159586960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).