9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole

C51H60N4O — CID 153415269

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole (PubChem CID 153415269) has the molecular formula C51H60N4O and a molecular weight of 745.07 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153415269
• Molecular Formula: C51H60N4O
• Molecular Weight: 745.07 g/mol
• Exact Mass: 744.48
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(C)C)nn1-c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
• InChI: InChI=1S/C51H60N4O/c1-32(2)25-45-47(34-26-36(50(8,9)10)28-37(27-34)51(11,12)13)48(33(3)4)53-55(45)38-17-16-18-39(30-38)56-40-21-22-42-41-19-14-15-20-43(41)54(44(42)31-40)46-29-35(23-24-52-46)49(5,6)7/h14-24,26-33H,25H2,1-13H3
• InChIKey: WZRIJHYLCXXORC-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.07
LogP ≤ 5	14.04
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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole (CID 153415269) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole is CC(C)Cc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(C)C)nn1-c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole?

The InChIKey is WZRIJHYLCXXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H60N4O/c1-32(2)25-45-47(34-26-36(50(8,9)10)28-37(27-34)51(11,12)13)48(33(3)4)53-55(45)38-17-16-18-39(30-38)56-40-21-22-42-41-19-14-15-20-43(41)54(44(42)31-40)46-29-35(23-24-52-46)49(5,6)7/h14-24,26-33H,25H2,1-13H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole has a molecular weight of 745.07 g/mol, XLogP of 14.04, 8 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-(3,5-ditert-butylphenyl)-5-(2-methylpropyl)-3-propan-2-ylpyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).