cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C72H130I2N6OS3V — CID 159652721

About cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 159652721) has the molecular formula C72H130I2N6OS3V and a molecular weight of 1496.83 g/mol. Its IUPAC name is cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 159652721
• Molecular Formula: C72H130I2N6OS3V
• Molecular Weight: 1496.83 g/mol
• Exact Mass: 1495.70
• IUPAC Name: cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCC=C1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)n1cccn1.I[V]I
• InChI: InChI=1S/C9H12.C8H11N.C7H11N.C7H10O.C7H10S.C6H10N2.2C6H9NS.8C2H6.2HI.V/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;8*1-2;;;/h3-8H,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3;8*1-2H3;2*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2
• InChIKey: MRTWIUNJDPYBJC-UHFFFAOYSA-L
• XLogP: 27.92
• TPSA: 81.99 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1496.83
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 159652721) is cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCC=C1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)n1cccn1.I[V]I.

What is the InChIKey of cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is MRTWIUNJDPYBJC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H12.C8H11N.C7H11N.C7H10O.C7H10S.C6H10N2.2C6H9NS.8C2H6.2HI.V/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;8*1-2;;;/h3-8H,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3;8*1-2H3;2*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2.

What are the key properties of cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1496.83 g/mol, XLogP of 27.92, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 159652721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).