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

C59H48N4O — CID 167001870

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

3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 167001870) has the molecular formula C59H48N4O and a molecular weight of 829.06 g/mol. Its IUPAC name is 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 167001870
• Molecular Formula: C59H48N4O
• Molecular Weight: 829.06 g/mol
• Exact Mass: 828.38
• IUPAC Name: 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CCCCc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9c(CCCC)cccc9c8c7)ccc65)c4)n3)c2)cc1
• InChI: InChI=1S/C59H48N4O/c1-3-5-15-39-27-29-40(30-28-39)43-20-12-21-46(35-43)58-60-57(42-17-8-7-9-18-42)61-59(62-58)47-22-13-23-48(36-47)63-53-26-11-10-24-49(53)51-37-44(31-33-54(51)63)45-32-34-55-52(38-45)50-25-14-19-41(16-6-4-2)56(50)64-55/h7-14,17-38H,3-6,15-16H2,1-2H3
• InChIKey: FLBKKHQXUGNVBS-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.06
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 167001870) is 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CCCCc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9c(CCCC)cccc9c8c7)ccc65)c4)n3)c2)cc1.

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

The InChIKey is FLBKKHQXUGNVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N4O/c1-3-5-15-39-27-29-40(30-28-39)43-20-12-21-46(35-43)58-60-57(42-17-8-7-9-18-42)61-59(62-58)47-22-13-23-48(36-47)63-53-26-11-10-24-49(53)51-37-44(31-33-54(51)63)45-32-34-55-52(38-45)50-25-14-19-41(16-6-4-2)56(50)64-55/h7-14,17-38H,3-6,15-16H2,1-2H3.

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

3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 829.06 g/mol, XLogP of 15.89, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-butyldibenzofuran-2-yl)-9-[3-[4-[3-(4-butylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 167001870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).