2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole

C38H23N3O2S — CID 153285321

About 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole

2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285321) has the molecular formula C38H23N3O2S and a molecular weight of 585.69 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 153285321
• Molecular Formula: C38H23N3O2S
• Molecular Weight: 585.69 g/mol
• Exact Mass: 585.15
• IUPAC Name: 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole
• SMILES: c1ccc(-c2ccc(-c3ccoc3)c(-n3c4ccc(-c5ccoc5)cc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1
• InChI: InChI=1S/C38H23N3O2S/c1-2-7-37-33(6-1)40-38(44-37)26-9-12-30-31-19-24(27-14-17-42-22-27)10-13-34(31)41(36(30)21-26)35-20-25(32-5-3-4-16-39-32)8-11-29(35)28-15-18-43-23-28/h1-23H
• InChIKey: RSKICASGIDXTOQ-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 56.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.69
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole (CID 153285321) is 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2ccc(-c3ccoc3)c(-n3c4ccc(-c5ccoc5)cc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1.

What is the InChIKey of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole?

The InChIKey is RSKICASGIDXTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O2S/c1-2-7-37-33(6-1)40-38(44-37)26-9-12-30-31-19-24(27-14-17-42-22-27)10-13-34(31)41(36(30)21-26)35-20-25(32-5-3-4-16-39-32)8-11-29(35)28-15-18-43-23-28/h1-23H.

What are the key properties of 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole?

2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 585.69 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(furan-3-yl)-9-[2-(furan-3-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).