1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole

C108H76N4O4S4 — CID 158049427

About 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole

1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole (PubChem CID 158049427) has the molecular formula C108H76N4O4S4 and a molecular weight of 1622.09 g/mol. Its IUPAC name is 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole.

Molecular Properties

• Compound Name: 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole
• PubChem CID: 158049427
• Molecular Formula: C108H76N4O4S4
• Molecular Weight: 1622.09 g/mol
• Exact Mass: 1620.47
• IUPAC Name: 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole
• SMILES: c1ccc(-c2coc3ccccc23)cc1.c1ccc(-c2csc3ccccc23)cc1.c1ccc(-c2noc3ccccc23)cc1.c1ccc(-c2nsc3ccccc23)cc1.c1ccc(-c2occ3ccccc23)cc1.c1ccc(-c2onc3ccccc23)cc1.c1ccc(-c2scc3ccccc23)cc1.c1ccc(-c2snc3ccccc23)cc1
• InChI: InChI=1S/2C14H10O.2C14H10S.2C13H9NO.2C13H9NS/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14;1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14;1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14;1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h4*1-10H;4*1-9H
• InChIKey: FJHKSKDGJZQORQ-UHFFFAOYSA-N
• XLogP: 32.25
• TPSA: 104.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1622.09
LogP ≤ 5	32.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole?

The IUPAC name of 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole (CID 158049427) is 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole.

What is the SMILES notation for 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole?

The canonical SMILES for 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole is c1ccc(-c2coc3ccccc23)cc1.c1ccc(-c2csc3ccccc23)cc1.c1ccc(-c2noc3ccccc23)cc1.c1ccc(-c2nsc3ccccc23)cc1.c1ccc(-c2occ3ccccc23)cc1.c1ccc(-c2onc3ccccc23)cc1.c1ccc(-c2scc3ccccc23)cc1.c1ccc(-c2snc3ccccc23)cc1.

What is the InChIKey of 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole?

The InChIKey is FJHKSKDGJZQORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10O.2C14H10S.2C13H9NO.2C13H9NS/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14;1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14;1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14;1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h4*1-10H;4*1-9H.

What are the key properties of 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole?

1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole has a molecular weight of 1622.09 g/mol, XLogP of 32.25, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-2-benzofuran;3-phenyl-1-benzofuran;3-phenyl-1,2-benzothiazole;3-phenyl-2,1-benzothiazole;1-phenyl-2-benzothiophene;3-phenyl-1-benzothiophene;3-phenyl-1,2-benzoxazole;3-phenyl-2,1-benzoxazole is sourced from PubChem (CID 158049427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).