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

C63H39N5O — CID 168807681

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

1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole (PubChem CID 168807681) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
• PubChem CID: 168807681
• Molecular Formula: C63H39N5O
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.32
• IUPAC Name: 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)cc3)c2)cc1
• InChI: InChI=1S/C63H39N5O/c1-3-16-40(17-4-1)43-18-13-19-44(38-43)41-32-34-42(35-33-41)61-64-62(45-36-37-49-48-23-9-12-31-57(48)69-58(49)39-45)66-63(65-61)52-26-15-29-55-59(52)51-24-8-11-28-54(51)68(55)56-30-14-25-50-47-22-7-10-27-53(47)67(60(50)56)46-20-5-2-6-21-46/h1-39H
• InChIKey: LUKYCDHUMCZBMC-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 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole?

The IUPAC name of 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole (CID 168807681) is 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole.

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

The canonical SMILES for 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-c5cccc6c5c5ccccc5n6-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)cc3)c2)cc1.

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

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

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

1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole 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 1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 168807681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).