9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole

C63H43N3 — CID 59501257

About 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole

9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 59501257) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 59501257
• Molecular Formula: C63H43N3
• Molecular Weight: 842.06 g/mol
• Exact Mass: 841.35
• IUPAC Name: 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)n(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C63H43N3/c1-3-15-44(16-4-1)46-27-31-50(32-28-46)60-43-63(51-33-29-47(30-34-51)45-17-5-2-6-18-45)66(64-60)53-41-37-49(38-42-53)55-20-8-10-22-57(55)56-21-9-7-19-54(56)48-35-39-52(40-36-48)65-61-25-13-11-23-58(61)59-24-12-14-26-62(59)65/h1-43H
• InChIKey: FIOFXRJPVJAWTP-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.06
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 59501257) is 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)n(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1.

What is the InChIKey of 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is FIOFXRJPVJAWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-3-15-44(16-4-1)46-27-31-50(32-28-46)60-43-63(51-33-29-47(30-34-51)45-17-5-2-6-18-45)66(64-60)53-41-37-49(38-42-53)55-20-8-10-22-57(55)56-21-9-7-19-54(56)48-35-39-52(40-36-48)65-61-25-13-11-23-58(61)59-24-12-14-26-62(59)65/h1-43H.

What are the key properties of 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 842.06 g/mol, XLogP of 16.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59501257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).