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

C57H35N5O — CID 138475085

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

2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 138475085) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 138475085
• Molecular Formula: C57H35N5O
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.28
• IUPAC Name: 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7c56)ccc43)n2)cc1
• InChI: InChI=1S/C57H35N5O/c1-4-15-36(16-5-1)55-58-56(37-17-6-2-7-18-37)60-57(59-55)62-49-25-13-11-22-44(49)46-34-40(28-31-50(46)62)42-23-14-26-53-54(42)47-33-38(29-32-52(47)63-53)39-27-30-45-43-21-10-12-24-48(43)61(51(45)35-39)41-19-8-3-9-20-41/h1-35H
• InChIKey: HUEOPNMODQJHJH-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 138475085) is 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7c56)ccc43)n2)cc1.

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

The InChIKey is HUEOPNMODQJHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-15-36(16-5-1)55-58-56(37-17-6-2-7-18-37)60-57(59-55)62-49-25-13-11-22-44(49)46-34-40(28-31-50(46)62)42-23-14-26-53-54(42)47-33-38(29-32-52(47)63-53)39-27-30-45-43-21-10-12-24-48(43)61(51(45)35-39)41-19-8-3-9-20-41/h1-35H.

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

2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 138475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).