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

C40H38N4O — CID 153414468

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

9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414468) has the molecular formula C40H38N4O and a molecular weight of 590.77 g/mol. Its IUPAC name is 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153414468
• Molecular Formula: C40H38N4O
• Molecular Weight: 590.77 g/mol
• Exact Mass: 590.30
• IUPAC Name: 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• SMILES: Cc1cc(C)c(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(CC(C)C)ccn6)c5c4)c3)c2)c1C
• InChI: InChI=1S/C40H38N4O/c1-25(2)18-30-16-17-41-39(20-30)44-37-13-8-7-12-35(37)36-15-14-34(22-38(36)44)45-33-11-9-10-32(21-33)43-24-31(23-42-43)40-28(5)26(3)19-27(4)29(40)6/h7-17,19-25H,18H2,1-6H3
• InChIKey: VWQGBOMTMHQKSZ-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	10.26
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-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153414468) is 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[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-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1cc(C)c(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(CC(C)C)ccn6)c5c4)c3)c2)c1C.

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

The InChIKey is VWQGBOMTMHQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4O/c1-25(2)18-30-16-17-41-39(20-30)44-37-13-8-7-12-35(37)36-15-14-34(22-38(36)44)45-33-11-9-10-32(21-33)43-24-31(23-42-43)40-28(5)26(3)19-27(4)29(40)6/h7-17,19-25H,18H2,1-6H3.

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

9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 590.77 g/mol, XLogP of 10.26, 7 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-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).