2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

C63H38N4O2 — CID 168721846

About 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 168721846) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
• PubChem CID: 168721846
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(oc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)c4-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1
• InChI: InChI=1S/C63H38N4O2/c1-4-15-39(16-5-1)40-27-29-42(30-28-40)62-64-61(41-17-6-2-7-18-41)65-63(66-62)52-35-34-51-50-24-14-23-46(43-31-33-48-47-21-10-12-25-54(47)67(55(48)38-43)45-19-8-3-9-20-45)59(50)69-60(51)58(52)44-32-36-57-53(37-44)49-22-11-13-26-56(49)68-57/h1-38H
• InChIKey: YWRJFWSJEFHDBM-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.02
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

The IUPAC name of 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (CID 168721846) is 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(oc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)c4-c4ccc5oc6ccccc6c5c4)n3)cc2)cc1.

What is the InChIKey of 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

The InChIKey is YWRJFWSJEFHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2/c1-4-15-39(16-5-1)40-27-29-42(30-28-40)62-64-61(41-17-6-2-7-18-41)65-63(66-62)52-35-34-51-50-24-14-23-46(43-31-33-48-47-21-10-12-25-54(47)67(55(48)38-43)45-19-8-3-9-20-45)59(50)69-60(51)58(52)44-32-36-57-53(37-44)49-22-11-13-26-56(49)68-57/h1-38H.

What are the key properties of 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?

2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 883.02 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-dibenzofuran-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 168721846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).