5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

C61H36N4O — CID 155430334

About 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155430334) has the molecular formula C61H36N4O and a molecular weight of 840.99 g/mol. Its IUPAC name is 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 155430334
• Molecular Formula: C61H36N4O
• Molecular Weight: 840.99 g/mol
• Exact Mass: 840.29
• IUPAC Name: 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C61H36N4O/c1-2-15-37(16-3-1)59-62-60(40-29-31-46-44-21-7-6-19-42(44)43-20-8-9-22-45(43)52(46)34-40)64-61(63-59)51-32-30-41(36-53(51)50-26-14-25-49-48-24-11-13-28-57(48)66-58(49)50)65-55-27-12-10-23-47(55)54-33-38-17-4-5-18-39(38)35-56(54)65/h1-36H
• InChIKey: XMDIOKACAOOQQP-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.99
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155430334) is 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

What is the SMILES notation for 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The canonical SMILES for 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cccc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The InChIKey is XMDIOKACAOOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4O/c1-2-15-37(16-3-1)59-62-60(40-29-31-46-44-21-7-6-19-42(44)43-20-8-9-22-45(43)52(46)34-40)64-61(63-59)51-32-30-41(36-53(51)50-26-14-25-49-48-24-11-13-28-57(48)66-58(49)50)65-55-27-12-10-23-47(55)54-33-38-17-4-5-18-39(38)35-56(54)65/h1-36H.

What are the key properties of 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 840.99 g/mol, XLogP of 16.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).