2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole

C34H23N5S — CID 153285100

About 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 153285100) has the molecular formula C34H23N5S and a molecular weight of 533.66 g/mol. Its IUPAC name is 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
• PubChem CID: 153285100
• Molecular Formula: C34H23N5S
• Molecular Weight: 533.66 g/mol
• Exact Mass: 533.17
• IUPAC Name: 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
• SMILES: Cn1ccnc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1
• InChI: InChI=1S/C34H23N5S/c1-38-18-17-35-33(38)24-14-16-28(36-21-24)22-7-6-8-25(19-22)39-30-11-4-2-9-26(30)27-15-13-23(20-31(27)39)34-37-29-10-3-5-12-32(29)40-34/h2-21H,1H3
• InChIKey: FXUYMHQTLIAFDX-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.66
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 153285100) is 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole is Cn1ccnc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccccc6s5)cc43)c2)nc1.

What is the InChIKey of 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

The InChIKey is FXUYMHQTLIAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5S/c1-38-18-17-35-33(38)24-14-16-28(36-21-24)22-7-6-8-25(19-22)39-30-11-4-2-9-26(30)27-15-13-23(20-31(27)39)34-37-29-10-3-5-12-32(29)40-34/h2-21H,1H3.

What are the key properties of 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole?

2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 533.66 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).