2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole

C34H23N5O — CID 142328497

About 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole

2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142328497) has the molecular formula C34H23N5O and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 142328497
• Molecular Formula: C34H23N5O
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.19
• IUPAC Name: 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
• SMILES: Cn1ccnc1-c1cc(-c2ccccn2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5o4)cc32)c1
• InChI: InChI=1S/C34H23N5O/c1-38-17-16-36-33(38)24-18-23(28-9-6-7-15-35-28)19-25(20-24)39-30-11-4-2-8-26(30)27-14-13-22(21-31(27)39)34-37-29-10-3-5-12-32(29)40-34/h2-21H,1H3
• InChIKey: ZATHIJGUNAKQQC-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole (CID 142328497) is 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole is Cn1ccnc1-c1cc(-c2ccccn2)cc(-n2c3ccccc3c3ccc(-c4nc5ccccc5o4)cc32)c1.

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

The InChIKey is ZATHIJGUNAKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5O/c1-38-17-16-36-33(38)24-18-23(28-9-6-7-15-35-28)19-25(20-24)39-30-11-4-2-8-26(30)27-14-13-22(21-31(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-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole?

2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 517.59 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).