ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)

C51H81N11Y31-2 — CID 162087507

About ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)

ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) (PubChem CID 162087507) has the molecular formula C51H81N11Y31-2 and a molecular weight of 3604.37 g/mol. Its IUPAC name is ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium).

Molecular Properties

• Compound Name: ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)
• PubChem CID: 162087507
• Molecular Formula: C51H81N11Y31-2
• Molecular Weight: 3604.37 g/mol
• Exact Mass: 3603.75
• IUPAC Name: ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]cccc2)ccc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C13H10.4C5H6N2.C4H5N3.7C2H6.31Y/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4;7*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;4*2-4H,1H3;2-3H,1H3;7*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2
• InChIKey: QDWBAXSPOKAORS-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 141.79 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 1
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3604.37
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?

The IUPAC name of ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) (CID 162087507) is ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium).

What is the SMILES notation for ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?

The canonical SMILES for ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) is CC.CC.CC.CC.CC.CC.CC.Cc1[c-]c(-c2[c-]cccc2)ccc1.Cc1ccncn1.Cc1cnccn1.Cc1cncnc1.Cc1ncccn1.Cc1ncncn1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?

The InChIKey is QDWBAXSPOKAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.4C5H6N2.C4H5N3.7C2H6.31Y/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4;7*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;4*2-4H,1H3;2-3H,1H3;7*1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium)?

ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) has a molecular weight of 3604.37 g/mol, XLogP of 13.69, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-3-phenylbenzene-2-ide;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine;(yttrium) is sourced from PubChem (CID 162087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).