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

C48H38N4O — CID 153414664

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

2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 153414664) has the molecular formula C48H38N4O and a molecular weight of 686.86 g/mol. Its IUPAC name is 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
• PubChem CID: 153414664
• Molecular Formula: C48H38N4O
• Molecular Weight: 686.86 g/mol
• Exact Mass: 686.30
• IUPAC Name: 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
• SMILES: Cc1cc(-c2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)C)ccn6)c5c4)c3)c2)c(-c2ccccc2)c1
• InChI: InChI=1S/C48H38N4O/c1-32(2)36-23-24-49-47(27-36)52-45-20-11-10-19-41(45)42-22-21-40(29-46(42)52)53-39-18-12-17-38(28-39)51-31-37(30-50-51)48-43(34-13-6-4-7-14-34)25-33(3)26-44(48)35-15-8-5-9-16-35/h4-32H,1-3H3
• InChIKey: HLLQMEJDGFKAHK-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.86
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 153414664) is 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is Cc1cc(-c2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)C)ccn6)c5c4)c3)c2)c(-c2ccccc2)c1.

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

The InChIKey is HLLQMEJDGFKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4O/c1-32(2)36-23-24-49-47(27-36)52-45-20-11-10-19-41(45)42-22-21-40(29-46(42)52)53-39-18-12-17-38(28-39)51-31-37(30-50-51)48-43(34-13-6-4-7-14-34)25-33(3)26-44(48)35-15-8-5-9-16-35/h4-32H,1-3H3.

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

2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 686.86 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-methyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 153414664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).