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

C38H27N7O — CID 142328663

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

5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142328663) has the molecular formula C38H27N7O and a molecular weight of 597.68 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 142328663
• Molecular Formula: C38H27N7O
• Molecular Weight: 597.68 g/mol
• Exact Mass: 597.23
• IUPAC Name: 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
• SMILES: Cn1ccnc1-c1ccc2oc(-c3ccc4c5cc(-c6nccn6C)ccc5n(-c5cccc(-c6ccccn6)c5)c4c3)nc2c1
• InChI: InChI=1S/C38H27N7O/c1-43-18-16-40-36(43)25-10-13-33-30(21-25)29-12-9-27(38-42-32-22-26(11-14-35(32)46-38)37-41-17-19-44(37)2)23-34(29)45(33)28-7-5-6-24(20-28)31-8-3-4-15-39-31/h3-23H,1-2H3
• InChIKey: RGIZAQCXMUILKA-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.68
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 142328663) is 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is Cn1ccnc1-c1ccc2oc(-c3ccc4c5cc(-c6nccn6C)ccc5n(-c5cccc(-c6ccccn6)c5)c4c3)nc2c1.

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

The InChIKey is RGIZAQCXMUILKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N7O/c1-43-18-16-40-36(43)25-10-13-33-30(21-25)29-12-9-27(38-42-32-22-26(11-14-35(32)46-38)37-41-17-19-44(37)2)23-34(29)45(33)28-7-5-6-24(20-28)31-8-3-4-15-39-31/h3-23H,1-2H3.

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

5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 597.68 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142328663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).