4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile

C40H23N5O — CID 164821868

About 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile

4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile (PubChem CID 164821868) has the molecular formula C40H23N5O and a molecular weight of 589.66 g/mol. Its IUPAC name is 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile
• PubChem CID: 164821868
• Molecular Formula: C40H23N5O
• Molecular Weight: 589.66 g/mol
• Exact Mass: 589.19
• IUPAC Name: 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccc3oc4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4c23)cc1
• InChI: InChI=1S/C40H23N5O/c41-24-25-17-19-26(20-18-25)29-13-8-16-36-37(29)32-23-28(21-22-35(32)46-36)39-42-38(27-9-2-1-3-10-27)43-40(44-39)45-33-14-6-4-11-30(33)31-12-5-7-15-34(31)45/h1-23H
• InChIKey: CZKQMXFCEVNLJZ-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 80.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.66
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile?

The IUPAC name of 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile (CID 164821868) is 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile.

What is the SMILES notation for 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile?

The canonical SMILES for 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3oc4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4c23)cc1.

What is the InChIKey of 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile?

The InChIKey is CZKQMXFCEVNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5O/c41-24-25-17-19-26(20-18-25)29-13-8-16-36-37(29)32-23-28(21-22-35(32)46-36)39-42-38(27-9-2-1-3-10-27)43-40(44-39)45-33-14-6-4-11-30(33)31-12-5-7-15-34(31)45/h1-23H.

What are the key properties of 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile?

4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile has a molecular weight of 589.66 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile is sourced from PubChem (CID 164821868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).