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

C36H23N7S — CID 142328953

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

6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (PubChem CID 142328953) has the molecular formula C36H23N7S and a molecular weight of 585.70 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 142328953
• Molecular Formula: C36H23N7S
• Molecular Weight: 585.70 g/mol
• Exact Mass: 585.17
• IUPAC Name: 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
• SMILES: c1ccc(-c2cc(-n3cccn3)cc(-n3c4ccccc4c4ccc(-c5nc6ccc(-n7cccn7)cc6s5)cc43)c2)nc1
• InChI: InChI=1S/C36H23N7S/c1-2-9-33-29(7-1)30-12-10-24(36-40-32-13-11-26(23-35(32)44-36)41-17-5-15-38-41)21-34(30)43(33)28-20-25(31-8-3-4-14-37-31)19-27(22-28)42-18-6-16-39-42/h1-23H
• InChIKey: BWRGNKHFKSEVOR-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 66.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.70
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole (CID 142328953) is 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole.

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

The canonical SMILES for 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2cc(-n3cccn3)cc(-n3c4ccccc4c4ccc(-c5nc6ccc(-n7cccn7)cc6s5)cc43)c2)nc1.

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

The InChIKey is BWRGNKHFKSEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7S/c1-2-9-33-29(7-1)30-12-10-24(36-40-32-13-11-26(23-35(32)44-36)41-17-5-15-38-41)21-34(30)43(33)28-20-25(31-8-3-4-14-37-31)19-27(22-28)42-18-6-16-39-42/h1-23H.

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

6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 585.70 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 142328953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).