carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)

C92H197N15O2S2Y10-10 — CID 159524313

IUPACcarbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ncncn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nn[nH]n1
InChIInChI=1S/C7H8.C5H5N.C4H5N3.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.20C2H6.CH2N4.10CH3.10Y/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;20*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;/h2-6H,1H3;1-5H;2-3H,1H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);2*1-3H;20*1-2H3;1H,(H,2,3,4,5);10*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyDMOYKBUYTGIOEA-UHFFFAOYSA-N
MW2498.88 g/mol
LogP34.20
Rot. Bonds

About carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)

carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) (PubChem CID 159524313) has the molecular formula C92H197N15O2S2Y10-10 and a molecular weight of 2498.88 g/mol. Its IUPAC name is carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)
PubChem CID159524313
Molecular FormulaC92H197N15O2S2Y10-10
Molecular Weight2498.88 g/mol
Exact Mass2497.59
IUPAC Namecarbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ncncn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nn[nH]n1
InChIInChI=1S/C7H8.C5H5N.C4H5N3.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.20C2H6.CH2N4.10CH3.10Y/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;20*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;/h2-6H,1H3;1-5H;2-3H,1H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);2*1-3H;20*1-2H3;1H,(H,2,3,4,5);10*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;;
InChIKeyDMOYKBUYTGIOEA-UHFFFAOYSA-N
XLogP34.20
TPSA228.33 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002498.88
LogP ≤ 534.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)?
The IUPAC name of carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) (CID 159524313) is carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium).
What is the SMILES notation for carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)?
The canonical SMILES for carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ncncn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nn[nH]n1.
What is the InChIKey of carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)?
The InChIKey is DMOYKBUYTGIOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H5N.C4H5N3.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.20C2H6.CH2N4.10CH3.10Y/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;20*1-2;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;/h2-6H,1H3;1-5H;2-3H,1H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);2*1-3H;20*1-2H3;1H,(H,2,3,4,5);10*1H3;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*-1;;;;;;;;;;.
What are the key properties of carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium)?
carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) has a molecular weight of 2498.88 g/mol, XLogP of 34.20, 0 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;furan;2-methyl-1,3,5-triazine;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3-thiazole;thiophene;toluene;decakis(yttrium) is sourced from PubChem (CID 159524313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).