9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole

C48H46N4O — CID 153441296

About 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole (PubChem CID 153441296) has the molecular formula C48H46N4O and a molecular weight of 694.92 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole
• PubChem CID: 153441296
• Molecular Formula: C48H46N4O
• Molecular Weight: 694.92 g/mol
• Exact Mass: 694.37
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole
• SMILES: CCCc1nn(-c2cccc(Oc3ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(CCC)c1-c1ccccc1
• InChI: InChI=1S/C48H46N4O/c1-6-15-42-47(34-19-12-9-13-20-34)44(16-7-2)52(50-42)37-21-14-22-38(31-37)53-39-24-25-40-41-29-35(33-17-10-8-11-18-33)23-26-43(41)51(45(40)32-39)46-30-36(27-28-49-46)48(3,4)5/h8-14,17-32H,6-7,15-16H2,1-5H3
• InChIKey: IRZHRRPQCMFDKJ-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.92
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole (CID 153441296) is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole is CCCc1nn(-c2cccc(Oc3ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(CCC)c1-c1ccccc1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole?

The InChIKey is IRZHRRPQCMFDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N4O/c1-6-15-42-47(34-19-12-9-13-20-34)44(16-7-2)52(50-42)37-21-14-22-38(31-37)53-39-24-25-40-41-29-35(33-17-10-8-11-18-33)23-26-43(41)51(45(40)32-39)46-30-36(27-28-49-46)48(3,4)5/h8-14,17-32H,6-7,15-16H2,1-5H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole has a molecular weight of 694.92 g/mol, XLogP of 12.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 153441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).