benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene

C82H78N8OS — CID 159426458

About benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene

benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene (PubChem CID 159426458) has the molecular formula C82H78N8OS and a molecular weight of 1223.65 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene.

Molecular Properties

• Compound Name: benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene
• PubChem CID: 159426458
• Molecular Formula: C82H78N8OS
• Molecular Weight: 1223.65 g/mol
• Exact Mass: 1222.60
• IUPAC Name: benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene
• SMILES: C1=Cc2ccccc2C1.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1
• InChI: InChI=1S/C10H8.C9H8.2C8H7N.C8H6O.C8H6S.3C7H6N2.C6H6.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;2*1-2/h1-8H;1-6H,7H2;2*1-6,9H;2*1-6H;3*1-5H,(H,8,9);1-6H;2*1-2H3
• InChIKey: UOIYCJYADOJEIA-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 130.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.65
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene?

The IUPAC name of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene (CID 159426458) is benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene.

What is the SMILES notation for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene?

The canonical SMILES for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene is C1=Cc2ccccc2C1.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.

What is the InChIKey of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene?

The InChIKey is UOIYCJYADOJEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H8.2C8H7N.C8H6O.C8H6S.3C7H6N2.C6H6.2C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;2*1-2/h1-8H;1-6H,7H2;2*1-6,9H;2*1-6H;3*1-5H,(H,8,9);1-6H;2*1-2H3.

What are the key properties of benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene?

benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene has a molecular weight of 1223.65 g/mol, XLogP of 23.19, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;bis(1H-indole);naphthalene is sourced from PubChem (CID 159426458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).