1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole

C63H36N4O2 — CID 139342623

About 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole

1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 139342623) has the molecular formula C63H36N4O2 and a molecular weight of 881.01 g/mol. Its IUPAC name is 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
• PubChem CID: 139342623
• Molecular Formula: C63H36N4O2
• Molecular Weight: 881.01 g/mol
• Exact Mass: 880.28
• IUPAC Name: 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4oc4ccc(-c6nc(-c7ccc8oc9ccccc9c8c7)nc(-c7ccc8c9ccccc9c9ccccc9c8c7)n6)cc45)c32)cc1
• InChI: InChI=1S/C63H36N4O2/c1-2-14-40(15-3-1)67-55-26-10-8-20-46(55)48-22-12-23-49(59(48)67)50-24-13-25-51-54-36-39(30-33-58(54)69-60(50)51)63-65-61(64-62(66-63)38-29-32-57-53(35-38)47-21-9-11-27-56(47)68-57)37-28-31-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)52(45)34-37/h1-36H
• InChIKey: KVOLPSUZCGAZKM-UHFFFAOYSA-N
• XLogP: 16.90
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.01
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

The IUPAC name of 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole (CID 139342623) is 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole.

What is the SMILES notation for 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

The canonical SMILES for 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4oc4ccc(-c6nc(-c7ccc8oc9ccccc9c8c7)nc(-c7ccc8c9ccccc9c9ccccc9c8c7)n6)cc45)c32)cc1.

What is the InChIKey of 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

The InChIKey is KVOLPSUZCGAZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36N4O2/c1-2-14-40(15-3-1)67-55-26-10-8-20-46(55)48-22-12-23-49(59(48)67)50-24-13-25-51-54-36-39(30-33-58(54)69-60(50)51)63-65-61(64-62(66-63)38-29-32-57-53(35-38)47-21-9-11-27-56(47)68-57)37-28-31-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)52(45)34-37/h1-36H.

What are the key properties of 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 881.01 g/mol, XLogP of 16.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 139342623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).