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

C43H44N4O — CID 153413547

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153413547) has the molecular formula C43H44N4O and a molecular weight of 632.85 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153413547
• Molecular Formula: C43H44N4O
• Molecular Weight: 632.85 g/mol
• Exact Mass: 632.35
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
• SMILES: CCc1c(CC)c(CC)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)c3)c2)c(CC)c1CC
• InChI: InChI=1S/C43H44N4O/c1-7-33-34(8-2)36(10-4)43(37(11-5)35(33)9-3)29-26-45-46(27-29)30-15-14-16-31(24-30)48-32-19-20-39-38-17-12-13-18-40(38)47(41(39)25-32)42-23-28(6)21-22-44-42/h12-27H,7-11H2,1-6H3
• InChIKey: GBKSEJJIEFDWKW-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.85
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153413547) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole is CCc1c(CC)c(CC)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)c3)c2)c(CC)c1CC.

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

The InChIKey is GBKSEJJIEFDWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N4O/c1-7-33-34(8-2)36(10-4)43(37(11-5)35(33)9-3)29-26-45-46(27-29)30-15-14-16-31(24-30)48-32-19-20-39-38-17-12-13-18-40(38)47(41(39)25-32)42-23-28(6)21-22-44-42/h12-27H,7-11H2,1-6H3.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 632.85 g/mol, XLogP of 10.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153413547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).