9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole

C43H44N4O — CID 153412974

About 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole

9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153412974) has the molecular formula C43H44N4O and a molecular weight of 632.85 g/mol. Its IUPAC name is 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153412974
• Molecular Formula: C43H44N4O
• Molecular Weight: 632.85 g/mol
• Exact Mass: 632.35
• IUPAC Name: 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• SMILES: Cc1cc(C)c(C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(CC(C)C)ccn6)c5c4)cc(C(C)C)c3)c2)c1C
• InChI: InChI=1S/C43H44N4O/c1-26(2)17-32-15-16-44-42(19-32)47-40-12-10-9-11-38(40)39-14-13-36(23-41(39)47)48-37-21-33(27(3)4)20-35(22-37)46-25-34(24-45-46)43-30(7)28(5)18-29(6)31(43)8/h9-16,18-27H,17H2,1-8H3
• InChIKey: DLCWMBINCSAABF-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.85
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153412974) is 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1cc(C)c(C)c(-c2cnn(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(CC(C)C)ccn6)c5c4)cc(C(C)C)c3)c2)c1C.

What is the InChIKey of 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

The InChIKey is DLCWMBINCSAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N4O/c1-26(2)17-32-15-16-44-42(19-32)47-40-12-10-9-11-38(40)39-14-13-36(23-41(39)47)48-37-21-33(27(3)4)20-35(22-37)46-25-34(24-45-46)43-30(7)28(5)18-29(6)31(43)8/h9-16,18-27H,17H2,1-8H3.

What are the key properties of 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 632.85 g/mol, XLogP of 11.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-propan-2-yl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153412974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).