2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole

C36H23N7O — CID 153285632

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

2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 153285632) has the molecular formula C36H23N7O and a molecular weight of 569.63 g/mol. Its IUPAC name is 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 153285632
• Molecular Formula: C36H23N7O
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.20
• IUPAC Name: 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole
• SMILES: c1ccc2oc(-c3ccc4c5ccccc5n(-c5cc(-c6ccc(-n7cccn7)cn6)ccc5-n5cccn5)c4c3)nc2c1
• InChI: InChI=1S/C36H23N7O/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41/h1-23H
• InChIKey: SRHUAAMWHMOZIT-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 79.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole (CID 153285632) is 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole is c1ccc2oc(-c3ccc4c5ccccc5n(-c5cc(-c6ccc(-n7cccn7)cn6)ccc5-n5cccn5)c4c3)nc2c1.

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

The InChIKey is SRHUAAMWHMOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7O/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41/h1-23H.

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

2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 569.63 g/mol, XLogP of 8.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).