carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)

C169H355N25O2S2WY5-6 — CID 159039177

IUPACcarbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)
SMILESC.C1=NN=NC1.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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-].[W].[Y].[Y].[Y].[Y].[Y].c1c[nH]cn1.c1cc[n-]c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C10H8.2C9H7N.C7H8.C5H5N.C4H5N3.C4H4N2.C4H4N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.43C2H6.CH2N4.CH4.5CH3.W.5Y/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;43*1-2;1-2-4-5-3-1;;;;;;;;;;;;/h1-8H;2*1-7H;2-6H,1H3;1-5H;2-3H,1H3;1-4H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,2H2;43*1-2H3;1H2;1H4;5*1H3;;;;;;/q;;;;;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;;
InChIKeyRDFDQUOSQKOFIR-UHFFFAOYSA-N
MW3462.38 g/mol
LogP65.37
Rot. Bonds

About carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)

carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) (PubChem CID 159039177) has the molecular formula C169H355N25O2S2WY5-6 and a molecular weight of 3462.38 g/mol. Its IUPAC name is carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)
PubChem CID159039177
Molecular FormulaC169H355N25O2S2WY5-6
Molecular Weight3462.38 g/mol
Exact Mass3460.27
IUPAC Namecarbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)
SMILESC.C1=NN=NC1.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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-].[W].[Y].[Y].[Y].[Y].[Y].c1c[nH]cn1.c1cc[n-]c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C10H8.2C9H7N.C7H8.C5H5N.C4H5N3.C4H4N2.C4H4N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.43C2H6.CH2N4.CH4.5CH3.W.5Y/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;43*1-2;1-2-4-5-3-1;;;;;;;;;;;;/h1-8H;2*1-7H;2-6H,1H3;1-5H;2-3H,1H3;1-4H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,2H2;43*1-2H3;1H2;1H4;5*1H3;;;;;;/q;;;;;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;;
InChIKeyRDFDQUOSQKOFIR-UHFFFAOYSA-N
XLogP65.37
TPSA354.73 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003462.38
LogP ≤ 565.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) with MolForge

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Related Compounds

benzene;furan;1H-imidazole;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 160805940
furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene
CID 158304730
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
benzene;cyclohexane;3,4-dihydroisoquinoline;ethane;furan;1H-imidazole;isoquinoline;1-methylbenzimidazole;1-methylindole;1-methylpiperidine;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrolidin-2-one;quinoline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,3-thiazole;thiophene
CID 158687308
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 167675884
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 161427477
ethane;furan;1H-imidazole;1H-indole;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 159493713
furan;1H-imidazole;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157308323
1H-benzimidazole;furan;bis(1H-imidazole);bis(1,3-oxazole);1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 158122007
1H-benzimidazole;furan;bis(1H-imidazole);bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 158137470
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;2H-triazole
CID 159170221
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;methane;2-methylisoindole-1,3-dione;1,8-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 158697994

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)?
The IUPAC name of carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) (CID 159039177) is carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium).
What is the SMILES notation for carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)?
The canonical SMILES for carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) is C.C1=NN=NC1.C1N=NN=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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-].[W].[Y].[Y].[Y].[Y].[Y].c1c[nH]cn1.c1cc[n-]c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.
What is the InChIKey of carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)?
The InChIKey is RDFDQUOSQKOFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C7H8.C5H5N.C4H5N3.C4H4N2.C4H4N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.2C2H3N3.43C2H6.CH2N4.CH4.5CH3.W.5Y/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1;43*1-2;1-2-4-5-3-1;;;;;;;;;;;;/h1-8H;2*1-7H;2-6H,1H3;1-5H;2-3H,1H3;1-4H;3*1-4H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);1H,2H2;43*1-2H3;1H2;1H4;5*1H3;;;;;;/q;;;;;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;;.
What are the key properties of carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium)?
carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) has a molecular weight of 3462.38 g/mol, XLogP of 65.37, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;pyrrol-1-ide;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;1H-1,2,4-triazole;4H-triazole;tungsten;pentakis(yttrium) is sourced from PubChem (CID 159039177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).