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

C63H40N4O — CID 139303441

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

9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole (PubChem CID 139303441) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
• PubChem CID: 139303441
• Molecular Formula: C63H40N4O
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.32
• IUPAC Name: 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)n5)cc4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C63H40N4O/c1-3-16-41(17-4-1)45-20-13-22-48(38-45)54-40-46(36-37-57(54)67-55-28-10-7-24-51(55)52-25-8-11-29-56(52)67)42-32-34-44(35-33-42)62-64-61(43-18-5-2-6-19-43)65-63(66-62)49-23-14-21-47(39-49)50-27-15-31-59-60(50)53-26-9-12-30-58(53)68-59/h1-40H
• InChIKey: PJUWIGJUYYBXDG-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole (CID 139303441) is 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole.

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

The canonical SMILES for 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)n5)cc4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is PJUWIGJUYYBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-3-16-41(17-4-1)45-20-13-22-48(38-45)54-40-46(36-37-57(54)67-55-28-10-7-24-51(55)52-25-8-11-29-56(52)67)42-32-34-44(35-33-42)62-64-61(43-18-5-2-6-19-43)65-63(66-62)49-23-14-21-47(39-49)50-27-15-31-59-60(50)53-26-9-12-30-58(53)68-59/h1-40H.

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

9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole has a molecular weight of 869.04 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 139303441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).