1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene

C132H273N9O3S2 — CID 158092116

About 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene

1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene (PubChem CID 158092116) has the molecular formula C132H273N9O3S2 and a molecular weight of 2098.83 g/mol. Its IUPAC name is 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
• PubChem CID: 158092116
• Molecular Formula: C132H273N9O3S2
• Molecular Weight: 2098.83 g/mol
• Exact Mass: 2097.09
• IUPAC Name: 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene
• SMILES: C1=CCCCC1.C1CCNNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.c1c[nH]cn1.c1cc[nH]c1.c1ccc2occc2c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cscn1
• InChI: InChI=1S/C8H6O.10C7H16.C6H10.C4H10N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.10C2H6/c1-2-4-8-7(3-1)5-6-9-8;10*1-4-5-6-7(2)3;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;10*1-2/h1-6H;10*7H,4-6H2,1-3H3;1-2H,3-6H2;5-6H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H;10*1-2H3
• InChIKey: FOFQQRANXOKWRT-UHFFFAOYSA-N
• XLogP: 49.69
• TPSA: 162.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.83
LogP ≤ 5	49.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?

The IUPAC name of 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene (CID 158092116) is 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene.

What is the SMILES notation for 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?

The canonical SMILES for 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene is C1=CCCCC1.C1CCNNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.CCCCC(C)C.c1c[nH]cn1.c1cc[nH]c1.c1ccc2occc2c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cscn1.

What is the InChIKey of 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?

The InChIKey is FOFQQRANXOKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.10C7H16.C6H10.C4H10N2.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO.C3H3NS.10C2H6/c1-2-4-8-7(3-1)5-6-9-8;10*1-4-5-6-7(2)3;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;10*1-2/h1-6H;10*7H,4-6H2,1-3H3;1-2H,3-6H2;5-6H,1-4H2;1-5H;2*1-4H;2*1-3H,(H,4,5);2*1-3H;10*1-2H3.

What are the key properties of 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene?

1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 2098.83 g/mol, XLogP of 49.69, 30 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;cyclohexene;diazinane;ethane;furan;1H-imidazole;decakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 158092116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).