9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole

C71H47N3 — CID 59501166

About 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole

9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole (PubChem CID 59501166) has the molecular formula C71H47N3 and a molecular weight of 942.18 g/mol. Its IUPAC name is 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
• PubChem CID: 59501166
• Molecular Formula: C71H47N3
• Molecular Weight: 942.18 g/mol
• Exact Mass: 941.38
• IUPAC Name: 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)n2)cc1
• InChI: InChI=1S/C71H47N3/c1-3-19-52(20-4-1)68-47-71(53-21-5-2-6-22-53)74(72-68)57-41-35-51(36-42-57)61-28-12-14-30-65(61)64-29-13-11-27-60(64)50-33-39-56(40-34-50)73-69-43-37-54(62-31-15-23-48-17-7-9-25-58(48)62)45-66(69)67-46-55(38-44-70(67)73)63-32-16-24-49-18-8-10-26-59(49)63/h1-47H
• InChIKey: WVQFUZSGTGQWAL-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.18
LogP ≤ 5	18.94
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-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole?

The IUPAC name of 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole (CID 59501166) is 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole.

What is the SMILES notation for 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole?

The canonical SMILES for 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)cc4)cc3)n2)cc1.

What is the InChIKey of 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole?

The InChIKey is WVQFUZSGTGQWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N3/c1-3-19-52(20-4-1)68-47-71(53-21-5-2-6-22-53)74(72-68)57-41-35-51(36-42-57)61-28-12-14-30-65(61)64-29-13-11-27-60(64)50-33-39-56(40-34-50)73-69-43-37-54(62-31-15-23-48-17-7-9-25-58(48)62)45-66(69)67-46-55(38-44-70(67)73)63-32-16-24-49-18-8-10-26-59(49)63/h1-47H.

What are the key properties of 9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole?

9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole has a molecular weight of 942.18 g/mol, XLogP of 18.94, 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-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole is sourced from PubChem (CID 59501166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).