7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

C88H82FN6+3 — CID 158773339

About 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (PubChem CID 158773339) has the molecular formula C88H82FN6+3 and a molecular weight of 1242.66 g/mol. Its IUPAC name is 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

Molecular Properties

• Compound Name: 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• PubChem CID: 158773339
• Molecular Formula: C88H82FN6+3
• Molecular Weight: 1242.66 g/mol
• Exact Mass: 1241.66
• IUPAC Name: 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• SMILES: Cc1cc2c(cc1-c1cc(-c3ccc(F)cc3)cc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1cc2c(cc1-c1cc(-c3ccccc3)cc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1ccc(-c2cc[n+](C)c(-c3cc4c(cc3C)-c3cccnc3C43CCCC3)c2)cc1
• InChI: InChI=1S/C30H29N2.C29H26FN2.C29H27N2/c1-20-8-10-22(11-9-20)23-12-16-32(3)28(18-23)25-19-27-26(17-21(25)2)24-7-6-15-31-29(24)30(27)13-4-5-14-30;1-19-16-25-23-6-5-14-31-28(23)29(12-3-4-13-29)26(25)18-24(19)27-17-21(11-15-32(27)2)20-7-9-22(30)10-8-20;1-20-17-25-23-11-8-15-30-28(23)29(13-6-7-14-29)26(25)19-24(20)27-18-22(12-16-31(27)2)21-9-4-3-5-10-21/h6-12,15-19H,4-5,13-14H2,1-3H3;5-11,14-18H,3-4,12-13H2,1-2H3;3-5,8-12,15-19H,6-7,13-14H2,1-2H3/q3*+1
• InChIKey: AYWYRTUHDVTNSX-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1242.66
LogP ≤ 5	19.61
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 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The IUPAC name of 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (CID 158773339) is 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

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

The canonical SMILES for 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is Cc1cc2c(cc1-c1cc(-c3ccc(F)cc3)cc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1cc2c(cc1-c1cc(-c3ccccc3)cc[n+]1C)C1(CCCC1)c1ncccc1-2.Cc1ccc(-c2cc[n+](C)c(-c3cc4c(cc3C)-c3cccnc3C43CCCC3)c2)cc1.

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

The InChIKey is AYWYRTUHDVTNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N2.C29H26FN2.C29H27N2/c1-20-8-10-22(11-9-20)23-12-16-32(3)28(18-23)25-19-27-26(17-21(25)2)24-7-6-15-31-29(24)30(27)13-4-5-14-30;1-19-16-25-23-6-5-14-31-28(23)29(12-3-4-13-29)26(25)18-24(19)27-17-21(11-15-32(27)2)20-7-9-22(30)10-8-20;1-20-17-25-23-11-8-15-30-28(23)29(13-6-7-14-29)26(25)19-24(20)27-18-22(12-16-31(27)2)21-9-4-3-5-10-21/h6-12,15-19H,4-5,13-14H2,1-3H3;5-11,14-18H,3-4,12-13H2,1-2H3;3-5,8-12,15-19H,6-7,13-14H2,1-2H3/q3*+1.

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

7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] has a molecular weight of 1242.66 g/mol, XLogP of 19.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 158773339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).