3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C51H32N4O — CID 164956340

About 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164956340) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 164956340
• Molecular Formula: C51H32N4O
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.26
• IUPAC Name: 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)c2)cc1
• InChI: InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)50-52-49(34-16-5-2-6-17-34)53-51(54-50)41-22-8-11-24-45(41)55-44-23-10-7-20-39(44)42-31-36(26-28-46(42)55)37-27-29-48-43(32-37)40-21-9-12-25-47(40)56-48/h1-32H
• InChIKey: UUXOTZHZXUZTRA-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 164956340) is 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)c2)cc1.

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

The InChIKey is UUXOTZHZXUZTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)50-52-49(34-16-5-2-6-17-34)53-51(54-50)41-22-8-11-24-45(41)55-44-23-10-7-20-39(44)42-31-36(26-28-46(42)55)37-27-29-48-43(32-37)40-21-9-12-25-47(40)56-48/h1-32H.

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

3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 164956340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).