ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)

C111H120N3Y3-3 — CID 163494084

About ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)

ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium) (PubChem CID 163494084) has the molecular formula C111H120N3Y3-3 and a molecular weight of 1762.92 g/mol. Its IUPAC name is ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium).

Molecular Properties

• Compound Name: ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)
• PubChem CID: 163494084
• Molecular Formula: C111H120N3Y3-3
• Molecular Weight: 1762.92 g/mol
• Exact Mass: 1761.67
• IUPAC Name: ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2[c-]c3c4ccccc4c4ccccc4c3cc2)[c-]c1-c1cccc[n+]1C.Cc1ccc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)[c-]c1-c1cccc[n+]1C.Cc1ccc(-c2[c-]ccc3c4ccccc4c4ccccc4c23)[c-]c1-c1cccc[n+]1C.[Y].[Y].[Y]
• InChI: InChI=1S/3C31H22N.9C2H6.3Y/c1-21-17-18-22(20-29(21)30-16-7-8-19-32(30)2)23-14-9-15-28-26-11-4-3-10-24(26)25-12-5-6-13-27(25)31(23)28;2*1-21-14-15-22(19-29(21)31-13-7-8-18-32(31)2)23-16-17-28-26-11-4-3-9-24(26)25-10-5-6-12-27(25)30(28)20-23;9*1-2;;;/h3-13,15-19H,1-2H3;3-15,17-18,20H,1-2H3;3-18H,1-2H3;9*1-2H3;;;/q3*-1
• InChIKey: GKNLQAHNVQLKHR-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 11.64 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1762.92
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)?

The IUPAC name of ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium) (CID 163494084) is ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium).

What is the SMILES notation for ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)?

The canonical SMILES for ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2[c-]c3c4ccccc4c4ccccc4c3cc2)[c-]c1-c1cccc[n+]1C.Cc1ccc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)[c-]c1-c1cccc[n+]1C.Cc1ccc(-c2[c-]ccc3c4ccccc4c4ccccc4c23)[c-]c1-c1cccc[n+]1C.[Y].[Y].[Y].

What is the InChIKey of ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)?

The InChIKey is GKNLQAHNVQLKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H22N.9C2H6.3Y/c1-21-17-18-22(20-29(21)30-16-7-8-19-32(30)2)23-14-9-15-28-26-11-4-3-10-24(26)25-12-5-6-13-27(25)31(23)28;2*1-21-14-15-22(19-29(21)31-13-7-8-18-32(31)2)23-16-17-28-26-11-4-3-9-24(26)25-10-5-6-12-27(25)30(28)20-23;9*1-2;;;/h3-13,15-19H,1-2H3;3-15,17-18,20H,1-2H3;3-18H,1-2H3;9*1-2H3;;;/q3*-1;;;;;;;;;;;;.

What are the key properties of ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium)?

ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium) has a molecular weight of 1762.92 g/mol, XLogP of 30.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2H-triphenylen-2-id-1-yl)benzene-6-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-6-id-1-yl]pyridin-1-ium;tris(yttrium) is sourced from PubChem (CID 163494084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).