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

C48H38N4O3 — CID 153413901

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153413901) has the molecular formula C48H38N4O3 and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
• PubChem CID: 153413901
• Molecular Formula: C48H38N4O3
• Molecular Weight: 718.86 g/mol
• Exact Mass: 718.29
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(Oc7ccccc7)c(C)c(C)c(C)c6Oc6ccccc6)cn5)c4)cc32)c1
• InChI: InChI=1S/C48H38N4O3/c1-31-24-25-49-45(26-31)52-43-21-12-11-20-41(43)42-23-22-40(28-44(42)52)53-39-19-13-14-36(27-39)51-30-35(29-50-51)46-47(54-37-15-7-5-8-16-37)33(3)32(2)34(4)48(46)55-38-17-9-6-10-18-38/h5-30H,1-4H3
• InChIKey: LVZLCVSJXKFZMC-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.86
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153413901) is 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(Oc7ccccc7)c(C)c(C)c(C)c6Oc6ccccc6)cn5)c4)cc32)c1.

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

The InChIKey is LVZLCVSJXKFZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4O3/c1-31-24-25-49-45(26-31)52-43-21-12-11-20-41(43)42-23-22-40(28-44(42)52)53-39-19-13-14-36(27-39)51-30-35(29-50-51)46-47(54-37-15-7-5-8-16-37)33(3)32(2)34(4)48(46)55-38-17-9-6-10-18-38/h5-30H,1-4H3.

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

9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.64, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153413901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).