2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium

C134H138N4O4+4 — CID 159393061

About 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium

2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium (PubChem CID 159393061) has the molecular formula C134H138N4O4+4 and a molecular weight of 1868.60 g/mol. Its IUPAC name is 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
• PubChem CID: 159393061
• Molecular Formula: C134H138N4O4+4
• Molecular Weight: 1868.60 g/mol
• Exact Mass: 1867.07
• IUPAC Name: 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
• SMILES: CCC1(CC)c2ccccc2-c2cc3c(cc21)oc1c(-c2cc(C(C)C)cc[n+]2C)c(C)ccc13.Cc1ccc2c(oc3cc4c(cc32)-c2ccccc2C4(C)C)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4c(cc32)C(CC(C)C)(CC(C)C)c2ccccc2-4)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4c(cc32)C2(CCCC2)c2ccccc2-4)c1-c1cc(C(C)C)cc[n+]1C
• InChI: InChI=1S/C37H42NO.C33H32NO.C33H34NO.C31H30NO/c1-22(2)20-37(21-23(3)4)31-12-10-9-11-27(31)29-19-34-30(18-32(29)37)28-14-13-25(7)35(36(28)39-34)33-17-26(24(5)6)15-16-38(33)8;1-20(2)22-13-16-34(4)29(17-22)31-21(3)11-12-24-26-18-28-25(19-30(26)35-32(24)31)23-9-5-6-10-27(23)33(28)14-7-8-15-33;1-7-33(8-2)27-12-10-9-11-23(27)25-18-26-24-14-13-21(5)31(32(24)35-30(26)19-28(25)33)29-17-22(20(3)4)15-16-34(29)6;1-18(2)20-13-14-32(6)27(15-20)29-19(3)11-12-22-24-16-23-21-9-7-8-10-25(21)31(4,5)26(23)17-28(24)33-30(22)29/h9-19,22-24H,20-21H2,1-8H3;5-6,9-13,16-20H,7-8,14-15H2,1-4H3;9-20H,7-8H2,1-6H3;7-18H,1-6H3/q4*+1
• InChIKey: GISUCTQIFJUMDE-UHFFFAOYSA-N
• XLogP: 34.63
• TPSA: 68.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1868.60
LogP ≤ 5	34.63
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 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The IUPAC name of 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium (CID 159393061) is 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium.

What is the SMILES notation for 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The canonical SMILES for 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium is CCC1(CC)c2ccccc2-c2cc3c(cc21)oc1c(-c2cc(C(C)C)cc[n+]2C)c(C)ccc13.Cc1ccc2c(oc3cc4c(cc32)-c2ccccc2C4(C)C)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4c(cc32)C(CC(C)C)(CC(C)C)c2ccccc2-4)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3cc4c(cc32)C2(CCCC2)c2ccccc2-4)c1-c1cc(C(C)C)cc[n+]1C.

What is the InChIKey of 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

The InChIKey is GISUCTQIFJUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42NO.C33H32NO.C33H34NO.C31H30NO/c1-22(2)20-37(21-23(3)4)31-12-10-9-11-27(31)29-19-34-30(18-32(29)37)28-14-13-25(7)35(36(28)39-34)33-17-26(24(5)6)15-16-38(33)8;1-20(2)22-13-16-34(4)29(17-22)31-21(3)11-12-24-26-18-28-25(19-30(26)35-32(24)31)23-9-5-6-10-27(23)33(28)14-7-8-15-33;1-7-33(8-2)27-12-10-9-11-23(27)25-18-26-24-14-13-21(5)31(32(24)35-30(26)19-28(25)33)29-17-22(20(3)4)15-16-34(29)6;1-18(2)20-13-14-32(6)27(15-20)29-19(3)11-12-22-24-16-23-21-9-7-8-10-25(21)31(4,5)26(23)17-28(24)33-30(22)29/h9-19,22-24H,20-21H2,1-8H3;5-6,9-13,16-20H,7-8,14-15H2,1-4H3;9-20H,7-8H2,1-6H3;7-18H,1-6H3/q4*+1.

What are the key properties of 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium?

2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium has a molecular weight of 1868.60 g/mol, XLogP of 34.63, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-diethyl-3-methylfluoreno[2,3-b][1]benzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium;1-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-4-propan-2-ylpyridin-1-ium;1-methyl-2-(3'-methylspiro[cyclopentane-1,11'-fluoreno[3,2-b][1]benzofuran]-4'-yl)-4-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-yl-2-(3,7,7-trimethylfluoreno[2,3-b][1]benzofuran-4-yl)pyridin-1-ium is sourced from PubChem (CID 159393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).