methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

C165H170N5O5+5 — CID 160590148

About methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium

methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (PubChem CID 160590148) has the molecular formula C165H170N5O5+5 and a molecular weight of 2303.20 g/mol. Its IUPAC name is methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
• PubChem CID: 160590148
• Molecular Formula: C165H170N5O5+5
• Molecular Weight: 2303.20 g/mol
• Exact Mass: 2301.32
• IUPAC Name: methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
• SMILES: C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C4(C)C)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C4(CC(C)C)CC(C)C)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C42CCCC2)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2cc4c(cc23)C(C)(C)c2ccccc2-4)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2cc4c(cc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)[n+](C)cc1C
• InChI: InChI=1S/2C36H40NO.C32H30NO.2C30H28NO.CH4/c1-21(2)18-36(19-22(3)4)30-12-10-9-11-26(30)28-17-33-29(16-31(28)36)27-14-13-23(5)34(35(27)38-33)32-15-24(6)25(7)20-37(32)8;1-21(2)18-36(19-22(3)4)30-12-10-9-11-26(30)27-15-16-29-28-14-13-23(5)32(34(28)38-35(29)33(27)36)31-17-24(6)25(7)20-37(31)8;1-19-11-12-24-25-14-13-23-22-9-5-6-10-26(22)32(15-7-8-16-32)29(23)31(25)34-30(24)28(19)27-17-20(2)21(3)18-33(27)4;1-17-11-12-21-23-14-25-22(20-9-7-8-10-24(20)30(25,4)5)15-27(23)32-29(21)28(17)26-13-18(2)19(3)16-31(26)6;1-17-11-12-22-23-14-13-21-20-9-7-8-10-24(20)30(4,5)27(21)29(23)32-28(22)26(17)25-15-18(2)19(3)16-31(25)6;/h2*9-17,20-22H,18-19H2,1-8H3;5-6,9-14,17-18H,7-8,15-16H2,1-4H3;2*7-16H,1-6H3;1H4/q5*+1
• InChIKey: UUEOPXXOJLDXRK-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 85.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2303.20
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?

The IUPAC name of methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium (CID 160590148) is methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium.

What is the SMILES notation for methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?

The canonical SMILES for methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C4(C)C)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C4(CC(C)C)CC(C)C)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)-c2ccccc2C42CCCC2)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2cc4c(cc23)C(C)(C)c2ccccc2-4)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2oc2cc4c(cc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)[n+](C)cc1C.

What is the InChIKey of methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?

The InChIKey is UUEOPXXOJLDXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H40NO.C32H30NO.2C30H28NO.CH4/c1-21(2)18-36(19-22(3)4)30-12-10-9-11-26(30)28-17-33-29(16-31(28)36)27-14-13-23(5)34(35(27)38-33)32-15-24(6)25(7)20-37(32)8;1-21(2)18-36(19-22(3)4)30-12-10-9-11-26(30)27-15-16-29-28-14-13-23(5)32(34(28)38-35(29)33(27)36)31-17-24(6)25(7)20-37(31)8;1-19-11-12-24-25-14-13-23-22-9-5-6-10-26(22)32(15-7-8-16-32)29(23)31(25)34-30(24)28(19)27-17-20(2)21(3)18-33(27)4;1-17-11-12-21-23-14-25-22(20-9-7-8-10-24(20)30(25,4)5)15-27(23)32-29(21)28(17)26-13-18(2)19(3)16-31(26)6;1-17-11-12-22-23-14-13-21-20-9-7-8-10-24(20)30(4,5)27(21)29(23)32-28(22)26(17)25-15-18(2)19(3)16-31(25)6;/h2*9-17,20-22H,18-19H2,1-8H3;5-6,9-14,17-18H,7-8,15-16H2,1-4H3;2*7-16H,1-6H3;1H4/q5*+1;.

What are the key properties of methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium?

methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium has a molecular weight of 2303.20 g/mol, XLogP of 41.82, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium is sourced from PubChem (CID 160590148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).