ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)

C54H72Y3-6 — CID 158718781

About ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)

ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium) (PubChem CID 158718781) has the molecular formula C54H72Y3-6 and a molecular weight of 987.89 g/mol. Its IUPAC name is ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium).

Molecular Properties

• Compound Name: ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)
• PubChem CID: 158718781
• Molecular Formula: C54H72Y3-6
• Molecular Weight: 987.89 g/mol
• Exact Mass: 987.28
• IUPAC Name: ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]c(C)ccc2)ccc1.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1cc[c-]c(-c2[c-]ccc(C)c2)c1.[Y].[Y].[Y]
• InChI: InChI=1S/3C14H12.6C2H6.3Y/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;2*1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;6*1-2;;;/h3-7,9H,1-2H3;3-6,9-10H,1-2H3;3-8H,1-2H3;6*1-2H3;;;/q3*-2
• InChIKey: UNSSUNYIUOQABH-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.89
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)?

The IUPAC name of ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium) (CID 158718781) is ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium).

What is the SMILES notation for ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)?

The canonical SMILES for ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium) is CC.CC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]c(C)ccc2)ccc1.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1cc[c-]c(-c2[c-]ccc(C)c2)c1.[Y].[Y].[Y].

What is the InChIKey of ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)?

The InChIKey is UNSSUNYIUOQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12.6C2H6.3Y/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;2*1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;6*1-2;;;/h3-7,9H,1-2H3;3-6,9-10H,1-2H3;3-8H,1-2H3;6*1-2H3;;;/q3*-2;;;;;;;;;.

What are the key properties of ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)?

ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium) has a molecular weight of 987.89 g/mol, XLogP of 16.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium) is sourced from PubChem (CID 158718781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).