2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)

C99H88N3Y3-3 — CID 159207280

About 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)

2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium) (PubChem CID 159207280) has the molecular formula C99H88N3Y3-3 and a molecular weight of 1586.53 g/mol. Its IUPAC name is 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium).

Molecular Properties

• Compound Name: 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)
• PubChem CID: 159207280
• Molecular Formula: C99H88N3Y3-3
• Molecular Weight: 1586.53 g/mol
• Exact Mass: 1585.42
• IUPAC Name: 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)
• SMILES: CC.CC.CC.Cc1c[c-]c(-c2[c-]c3c4ccccc4c4ccccc4c3cc2)cc1-c1cccc[n+]1C.Cc1c[c-]c(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1-c1cccc[n+]1C.Cc1c[c-]c(-c2[c-]ccc3c2C2C=CC=CC2C2C=CC=CC32)cc1-c1cccc[n+]1C.[Y].[Y].[Y]
• InChI: InChI=1S/C31H26N.2C31H22N.3C2H6.3Y/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;3*1-2;;;/h3-13,15-17,19-20,24-27H,1-2H3;3-14,17-20H,1-2H3;3-14,16-19H,1-2H3;3*1-2H3;;;/q3*-1
• InChIKey: ZGUMDFUIYOAYLK-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 11.64 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1586.53
LogP ≤ 5	23.92
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 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)?

The IUPAC name of 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium) (CID 159207280) is 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium).

What is the SMILES notation for 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)?

The canonical SMILES for 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium) is CC.CC.CC.Cc1c[c-]c(-c2[c-]c3c4ccccc4c4ccccc4c3cc2)cc1-c1cccc[n+]1C.Cc1c[c-]c(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1-c1cccc[n+]1C.Cc1c[c-]c(-c2[c-]ccc3c2C2C=CC=CC2C2C=CC=CC32)cc1-c1cccc[n+]1C.[Y].[Y].[Y].

What is the InChIKey of 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)?

The InChIKey is ZGUMDFUIYOAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N.2C31H22N.3C2H6.3Y/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;3*1-2;;;/h3-13,15-17,19-20,24-27H,1-2H3;3-14,17-20H,1-2H3;3-14,16-19H,1-2H3;3*1-2H3;;;/q3*-1;;;;;;.

What are the key properties of 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium)?

2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium) has a molecular weight of 1586.53 g/mol, XLogP of 23.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4b,8a,8b,12a-tetrahydro-2H-triphenylen-2-id-1-yl)-2-methylbenzene-4-id-1-yl]-1-methylpyridin-1-ium;ethane;1-methyl-2-[2-methyl-5-(1H-triphenylen-1-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(3H-triphenylen-3-id-2-yl)benzene-4-id-1-yl]pyridin-1-ium;tris(yttrium) is sourced from PubChem (CID 159207280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).