2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole

C33H20N4OS — CID 142328645

About 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole

2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142328645) has the molecular formula C33H20N4OS and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 142328645
• Molecular Formula: C33H20N4OS
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.14
• IUPAC Name: 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nccs5)cc(-c5nc6ccccc6o5)cc43)c2)nc1
• InChI: InChI=1S/C33H20N4OS/c1-3-13-28-24(10-1)31-25(33-35-16-17-39-33)19-22(32-36-27-12-2-4-14-30(27)38-32)20-29(31)37(28)23-9-7-8-21(18-23)26-11-5-6-15-34-26/h1-20H
• InChIKey: LWAGUHCBRPUEBA-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole?

The IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole (CID 142328645) is 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole?

The canonical SMILES for 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nccs5)cc(-c5nc6ccccc6o5)cc43)c2)nc1.

What is the InChIKey of 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole?

The InChIKey is LWAGUHCBRPUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4OS/c1-3-13-28-24(10-1)31-25(33-35-16-17-39-33)19-22(32-36-27-12-2-4-14-30(27)38-32)20-29(31)37(28)23-9-7-8-21(18-23)26-11-5-6-15-34-26/h1-20H.

What are the key properties of 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole?

2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 520.62 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).