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

C38H23N3O2S — CID 142329298

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

6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142329298) has the molecular formula C38H23N3O2S and a molecular weight of 585.69 g/mol. Its IUPAC name is 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 142329298
• Molecular Formula: C38H23N3O2S
• Molecular Weight: 585.69 g/mol
• Exact Mass: 585.15
• IUPAC Name: 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• SMILES: c1ccc(-c2cccc(-n3c4ccc(-c5ccoc5)cc4c4ccc(-c5nc6ccc(-c7ccoc7)cc6s5)cc43)c2)nc1
• InChI: InChI=1S/C38H23N3O2S/c1-2-15-39-33(6-1)26-4-3-5-30(18-26)41-35-12-9-24(28-13-16-42-22-28)19-32(35)31-10-7-27(20-36(31)41)38-40-34-11-8-25(21-37(34)44-38)29-14-17-43-23-29/h1-23H
• InChIKey: ZDDZEGMBMZDILK-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 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole?

The IUPAC name of 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142329298) is 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

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

The canonical SMILES for 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccoc5)cc4c4ccc(-c5nc6ccc(-c7ccoc7)cc6s5)cc43)c2)nc1.

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

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

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

6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-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 6-(furan-3-yl)-2-[6-(furan-3-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142329298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).