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

C63H39N5O — CID 122501655

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

3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 122501655) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 122501655
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)cccc34)n2)cc1
• InChI: InChI=1S/C63H39N5O/c1-5-17-40(18-6-1)61-64-62(41-19-7-2-8-20-41)66-63(65-61)51-29-16-28-50-49-27-15-26-47(59(49)69-60(50)51)44-33-36-58-54(39-44)53-38-43(32-35-57(53)68(58)46-23-11-4-12-24-46)42-31-34-56-52(37-42)48-25-13-14-30-55(48)67(56)45-21-9-3-10-22-45/h1-39H
• InChIKey: XEXZBZJGDTVGTO-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 122501655) is 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

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

The canonical SMILES for 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc5n6-c5ccccc5)cccc34)n2)cc1.

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

The InChIKey is XEXZBZJGDTVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-5-17-40(18-6-1)61-64-62(41-19-7-2-8-20-41)66-63(65-61)51-29-16-28-50-49-27-15-26-47(59(49)69-60(50)51)44-33-36-58-54(39-44)53-38-43(32-35-57(53)68(58)46-23-11-4-12-24-46)42-31-34-56-52(37-42)48-25-13-14-30-55(48)67(56)45-21-9-3-10-22-45/h1-39H.

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

3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 122501655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).