9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile

C33H26N4O2 — CID 164823457

About 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile

9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 164823457) has the molecular formula C33H26N4O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile
• PubChem CID: 164823457
• Molecular Formula: C33H26N4O2
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.21
• IUPAC Name: 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile
• SMILES: CC(C)(C)c1ccc(O)c(-c2cccc(Oc3cccc(-n4c5ccccc5c5cc(C#N)ccc54)n3)n2)c1
• InChI: InChI=1S/C33H26N4O2/c1-33(2,3)22-15-17-29(38)25(19-22)26-9-6-12-31(35-26)39-32-13-7-11-30(36-32)37-27-10-5-4-8-23(27)24-18-21(20-34)14-16-28(24)37/h4-19,38H,1-3H3
• InChIKey: GRLXEDVDXWTMFA-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 83.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile (CID 164823457) is 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile is CC(C)(C)c1ccc(O)c(-c2cccc(Oc3cccc(-n4c5ccccc5c5cc(C#N)ccc54)n3)n2)c1.

What is the InChIKey of 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile?

The InChIKey is GRLXEDVDXWTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O2/c1-33(2,3)22-15-17-29(38)25(19-22)26-9-6-12-31(35-26)39-32-13-7-11-30(36-32)37-27-10-5-4-8-23(27)24-18-21(20-34)14-16-28(24)37/h4-19,38H,1-3H3.

What are the key properties of 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile?

9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 164823457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).