benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)

C129H279N13Y4-8 — CID 157209049

About benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)

benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium) (PubChem CID 157209049) has the molecular formula C129H279N13Y4-8 and a molecular weight of 2368.37 g/mol. Its IUPAC name is benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium).

Molecular Properties

• Compound Name: benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)
• PubChem CID: 157209049
• Molecular Formula: C129H279N13Y4-8
• Molecular Weight: 2368.37 g/mol
• Exact Mass: 2366.85
• IUPAC Name: benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.[H]/[C-]=C/C=[C-]/[H].[H]/[C-]=C/C=[N-].[H]/[C-]=C/N=[C-]/[H].[H]/[C-]=C/N=[C-]/[H].[Y].[Y].[Y].[Y].c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1
• InChI: InChI=1S/C6H6.C5H5N.10C5H12.3C4H4N2.C4H4.C3H3N3.3C3H3N.20C2H6.4Y/c2*1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-4-2;1-4-2-6-3-5-1;2*1-3-4-2;1-2-3-4;20*1-2;;;;/h1-6H;1-5H;10*1-4H3;3*1-4H;1-4H;1-3H;3*1-3H;20*1-2H3;;;;/q;;;;;;;;;;;;;;;-2;;3*-2
• InChIKey: JCGUMPDRYMEFIV-UHFFFAOYSA-N
• XLogP: 47.71
• TPSA: 175.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.37
LogP ≤ 5	47.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)?

The IUPAC name of benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium) (CID 157209049) is benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium).

What is the SMILES notation for benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)?

The canonical SMILES for benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.[H]/[C-]=C/C=[C-]/[H].[H]/[C-]=C/C=[N-].[H]/[C-]=C/N=[C-]/[H].[H]/[C-]=C/N=[C-]/[H].[Y].[Y].[Y].[Y].c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1ncncn1.

What is the InChIKey of benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)?

The InChIKey is JCGUMPDRYMEFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.10C5H12.3C4H4N2.C4H4.C3H3N3.3C3H3N.20C2H6.4Y/c2*1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-4-2;1-4-2-6-3-5-1;2*1-3-4-2;1-2-3-4;20*1-2;;;;/h1-6H;1-5H;10*1-4H3;3*1-4H;1-4H;1-3H;3*1-3H;20*1-2H3;;;;/q;;;;;;;;;;;;;;;-2;;3*-2;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium)?

benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium) has a molecular weight of 2368.37 g/mol, XLogP of 47.71, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;buta-1,3-diene;decakis(2,2-dimethylpropane);ethane;bis(N-ethenylmethanimine);prop-2-enylideneazanide;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine;tetrakis(yttrium) is sourced from PubChem (CID 157209049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).