Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene

C₇₉H₇₁N₁₃O₂S₂ — CID 159007652

About Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene

Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene (PubChem CID 159007652) has the molecular formula C₇₉H₇₁N₁₃O₂S₂ and a molecular weight of 1298.66 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene.

Molecular Properties

• Compound Name: Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene
• PubChem CID: 159007652
• Molecular Formula: C₇₉H₇₁N₁₃O₂S₂
• Molecular Weight: 1298.66 g/mol
• Exact Mass: 1297.53
• IUPAC Name: benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene
• SMILES: c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ncc2c1
• InChI: InChI=1S/C10H8.C8H7N.C8H6O.C8H6S.C7H6N2.2C6H5N3.C6H6.C5H5N.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1/h1-8H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);1-6H;1-5H;1-5H;2*1-4H;1-3H,(H,4,5)
• InChIKey: JSCRAOBEYIFQKW-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 211.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1298.66
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?

The IUPAC name of Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene (CID 159007652) is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene.

What is the SMILES notation for Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?

The canonical SMILES for Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene is c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2[nH]ncc2c1.

What is the InChIKey of Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?

The InChIKey is JSCRAOBEYIFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H7N.C8H6O.C8H6S.C7H6N2.2C6H5N3.C6H6.C5H5N.C4H5N.C4H4O.C4H4S.C3H4N2/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1/h1-8H;1-6,9H;2*1-6H;1-5H,(H,8,9);2*1-4H,(H,7,8,9);1-6H;1-5H;1-5H;2*1-4H;1-3H,(H,4,5).

What are the key properties of Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene?

Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene has a molecular weight of 1298.66 g/mol, XLogP of 21.04, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;2H-benzotriazole;furan;1H-indole;naphthalene;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridine;1H-pyrrole;thiophene is sourced from PubChem (CID 159007652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159007652 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.