carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)

C233H305N17O5Rb+11 — CID 157325051

About carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)

carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+) (PubChem CID 157325051) has the molecular formula C233H305N17O5Rb+11 and a molecular weight of 3509.58 g/mol. Its IUPAC name is carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+).

Molecular Properties

• Compound Name: carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)
• PubChem CID: 157325051
• Molecular Formula: C233H305N17O5Rb+11
• Molecular Weight: 3509.58 g/mol
• Exact Mass: 3506.32
• IUPAC Name: carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3ccccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2nc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C.[CH3-].[Rb+]
• InChI: InChI=1S/C19H16NO.4C18H15N2O.C17H17N2.3C17H16N.C16H15N2.C13H14N.22C2H6.CH3.Rb/c1-13-10-11-15-14-7-3-4-9-17(14)21-19(15)18(13)16-8-5-6-12-20(16)2;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2;1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-12-6-7-14-13-8-9-19-11-16(13)21-18(14)17(12)15-5-3-4-10-20(15)2;1-12-6-7-13-14-11-19-9-8-16(14)21-18(13)17(12)15-5-3-4-10-20(15)2;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-7-3-4-8-13(12)16-14-9-5-6-10-15(14)17-11-18(16)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;22*1-2;;/h3-12H,1-2H3;4*3-11H,1-2H3;3-13H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;22*1-2H3;1H3;/q11*+1;;;;;;;;;;;;;;;;;;;;;;;-1;+1
• InChIKey: QXBUHYSSDZJRJY-UHFFFAOYSA-N
• XLogP: 59.26
• TPSA: 177.76 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3509.58
LogP ≤ 5	59.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)?

The IUPAC name of carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+) (CID 157325051) is carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+).

What is the SMILES notation for carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)?

The canonical SMILES for carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(oc3ccccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cccnc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccncc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnccc32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cccc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1c2ccccc2nc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1n(-c2ccccc2)cc[n+]1C.[CH3-].[Rb+].

What is the InChIKey of carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)?

The InChIKey is QXBUHYSSDZJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO.4C18H15N2O.C17H17N2.3C17H16N.C16H15N2.C13H14N.22C2H6.CH3.Rb/c1-13-10-11-15-14-7-3-4-9-17(14)21-19(15)18(13)16-8-5-6-12-20(16)2;1-12-8-9-13-14-6-5-10-19-18(14)21-17(13)16(12)15-7-3-4-11-20(15)2;1-12-8-9-13-17-15(7-5-10-19-17)21-18(13)16(12)14-6-3-4-11-20(14)2;1-12-6-7-14-13-8-9-19-11-16(13)21-18(14)17(12)15-5-3-4-10-20(15)2;1-12-6-7-13-14-11-19-9-8-16(14)21-18(13)17(12)15-5-3-4-10-20(15)2;1-14-8-6-7-11-16(14)17-18(2)12-13-19(17)15-9-4-3-5-10-15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-7-3-4-8-13(12)16-14-9-5-6-10-15(14)17-11-18(16)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;22*1-2;;/h3-12H,1-2H3;4*3-11H,1-2H3;3-13H,1-2H3;3*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;22*1-2H3;1H3;/q11*+1;;;;;;;;;;;;;;;;;;;;;;;-1;+1.

What are the key properties of carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+)?

carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+) has a molecular weight of 3509.58 g/mol, XLogP of 59.26, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;rubidium(1+) is sourced from PubChem (CID 157325051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).