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

C48H34N4O — CID 167001747

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

3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 167001747) has the molecular formula C48H34N4O and a molecular weight of 682.83 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 167001747
• Molecular Formula: C48H34N4O
• Molecular Weight: 682.83 g/mol
• Exact Mass: 682.27
• IUPAC Name: 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CCCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)n2)c1
• InChI: InChI=1S/C48H34N4O/c1-2-11-31-12-10-15-36(28-31)48-50-46(32-13-4-3-5-14-32)49-47(51-48)33-20-24-37(25-21-33)52-42-18-8-6-16-38(42)41-29-34(23-27-43(41)52)35-22-26-40-39-17-7-9-19-44(39)53-45(40)30-35/h3-10,12-30H,2,11H2,1H3
• InChIKey: WGJNYPDAKUSDAH-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.83
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 167001747) is 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CCCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)n2)c1.

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

The InChIKey is WGJNYPDAKUSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O/c1-2-11-31-12-10-15-36(28-31)48-50-46(32-13-4-3-5-14-32)49-47(51-48)33-20-24-37(25-21-33)52-42-18-8-6-16-38(42)41-29-34(23-27-43(41)52)35-22-26-40-39-17-7-9-19-44(39)53-45(40)30-35/h3-10,12-30H,2,11H2,1H3.

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

3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 682.83 g/mol, XLogP of 12.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 167001747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).