potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide

C97H178FI2KN12OS2 — CID 158925450

About potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide

potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide (PubChem CID 158925450) has the molecular formula C97H178FI2KN12OS2 and a molecular weight of 1905.62 g/mol. Its IUPAC name is potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide.

Molecular Properties

• Compound Name: potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide
• PubChem CID: 158925450
• Molecular Formula: C97H178FI2KN12OS2
• Molecular Weight: 1905.62 g/mol
• Exact Mass: 1904.15
• IUPAC Name: potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide
• SMILES: C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.F.I.I.N.[H-].[H][2H].[H][H].[H][H].[K+].c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cnsc1.c1cscn1
• InChI: InChI=1S/2C9H7N.C8H7N.C6H6.C5H5N.C4H4N2.10C4H10.C3H4N2.C3H3NO.2C3H3NS.4CH4.FH.2HI.K.H3N.3H2.H/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;10*1-4(2)3;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;;;;;;;;;;;;;/h2*1-7H;1-6,9H;1-6H;1-5H;1-4H;10*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1H4;3*1H;;1H3;3*1H;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;-1/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1
• InChIKey: MMWOXSGYSJJXLU-KLHIOZIDSA-N
• XLogP: 31.83
• TPSA: 195.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.62
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide?

The IUPAC name of potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide (CID 158925450) is potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide.

What is the SMILES notation for potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide?

The canonical SMILES for potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide is C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.F.I.I.N.[H-].[H][2H].[H][H].[H][H].[K+].c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1cn[nH]c1.c1cncnc1.c1cnoc1.c1cnsc1.c1cscn1.

What is the InChIKey of potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide?

The InChIKey is MMWOXSGYSJJXLU-KLHIOZIDSA-N. The full InChI is InChI=1S/2C9H7N.C8H7N.C6H6.C5H5N.C4H4N2.10C4H10.C3H4N2.C3H3NO.2C3H3NS.4CH4.FH.2HI.K.H3N.3H2.H/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;10*1-4(2)3;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;;;;;;;;;;;;;/h2*1-7H;1-6,9H;1-6H;1-5H;1-4H;10*4H,1-3H3;1-3H,(H,4,5);3*1-3H;4*1H4;3*1H;;1H3;3*1H;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;-1/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+1;;;.

What are the key properties of potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide?

potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide has a molecular weight of 1905.62 g/mol, XLogP of 31.83, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide is sourced from PubChem (CID 158925450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).