9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole

C42H42N4O — CID 153415156

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153415156) has the molecular formula C42H42N4O and a molecular weight of 618.83 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153415156
• Molecular Formula: C42H42N4O
• Molecular Weight: 618.83 g/mol
• Exact Mass: 618.34
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)c1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(C(C)C)c1-c1ccccc1
• InChI: InChI=1S/C42H42N4O/c1-27(2)40-39(29-14-9-8-10-15-29)41(28(3)4)46(44-40)31-16-13-17-32(25-31)47-33-20-21-35-34-18-11-12-19-36(34)45(37(35)26-33)38-24-30(22-23-43-38)42(5,6)7/h8-28H,1-7H3
• InChIKey: ILVOCXKWTCUKHX-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.83
LogP ≤ 5	11.37
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)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole (CID 153415156) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole is CC(C)c1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(C(C)C)c1-c1ccccc1.

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

The InChIKey is ILVOCXKWTCUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N4O/c1-27(2)40-39(29-14-9-8-10-15-29)41(28(3)4)46(44-40)31-16-13-17-32(25-31)47-33-20-21-35-34-18-11-12-19-36(34)45(37(35)26-33)38-24-30(22-23-43-38)42(5,6)7/h8-28H,1-7H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 618.83 g/mol, XLogP of 11.37, 7 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)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153415156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).