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

C76H83N6+3 — CID 159276864

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

bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (PubChem CID 159276864) has the molecular formula C76H83N6+3 and a molecular weight of 1080.54 g/mol. Its IUPAC name is bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

Molecular Properties

• Compound Name: bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• PubChem CID: 159276864
• Molecular Formula: C76H83N6+3
• Molecular Weight: 1080.54 g/mol
• Exact Mass: 1079.67
• IUPAC Name: bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• SMILES: CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1
• InChI: InChI=1S/C26H29N2.2C25H27N2/c1-5-19-10-13-28(4)24(15-19)21-16-23-22(14-17(21)2)20-9-8-18(3)27-25(20)26(23)11-6-7-12-26;2*1-16-9-12-27(4)23(13-16)20-15-22-21(14-17(20)2)19-8-7-18(3)26-24(19)25(22)10-5-6-11-25/h8-10,13-16H,5-7,11-12H2,1-4H3;2*7-9,12-15H,5-6,10-11H2,1-4H3/q3*+1
• InChIKey: SUJVHEDZJGIYKO-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.54
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The IUPAC name of bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (CID 159276864) is bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

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

The canonical SMILES for bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is CCc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1.Cc1cc[n+](C)c(-c2cc3c(cc2C)-c2ccc(C)nc2C32CCCC2)c1.

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

The InChIKey is SUJVHEDZJGIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2.2C25H27N2/c1-5-19-10-13-28(4)24(15-19)21-16-23-22(14-17(21)2)20-9-8-18(3)27-25(20)26(23)11-6-7-12-26;2*1-16-9-12-27(4)23(13-16)20-15-22-21(14-17(20)2)19-8-7-18(3)26-24(19)25(22)10-5-6-11-25/h8-10,13-16H,5-7,11-12H2,1-4H3;2*7-9,12-15H,5-6,10-11H2,1-4H3/q3*+1.

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

bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] has a molecular weight of 1080.54 g/mol, XLogP of 16.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7'-(1,4-dimethylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);7'-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 159276864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).