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

C63H36N4O2 — CID 139342631

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

2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 139342631) has the molecular formula C63H36N4O2 and a molecular weight of 881.01 g/mol. Its IUPAC name is 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
• PubChem CID: 139342631
• Molecular Formula: C63H36N4O2
• Molecular Weight: 881.01 g/mol
• Exact Mass: 880.28
• IUPAC Name: 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccc(-c6nc(-c7ccc8oc9ccccc9c8c7)nc(-c7ccc8c9ccccc9c9ccccc9c8c7)n6)cc45)cc32)cc1
• InChI: InChI=1S/C63H36N4O2/c1-2-13-41(14-3-1)67-55-23-10-8-19-48(55)49-30-25-37(36-56(49)67)42-21-12-22-51-54-35-40(28-32-59(54)69-60(42)51)63-65-61(64-62(66-63)39-27-31-58-53(34-39)50-20-9-11-24-57(50)68-58)38-26-29-47-45-17-5-4-15-43(45)44-16-6-7-18-46(44)52(47)33-38/h1-36H
• InChIKey: VXKFWOPORDJMNV-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 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

The IUPAC name of 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole (CID 139342631) is 2-[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 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4oc4ccc(-c6nc(-c7ccc8oc9ccccc9c8c7)nc(-c7ccc8c9ccccc9c9ccccc9c8c7)n6)cc45)cc32)cc1.

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

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

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

2-[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 2-[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 139342631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).