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

C65H38N4O — CID 155431014

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

5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155431014) has the molecular formula C65H38N4O and a molecular weight of 891.05 g/mol. Its IUPAC name is 5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 155431014
• Molecular Formula: C65H38N4O
• Molecular Weight: 891.05 g/mol
• Exact Mass: 890.30
• IUPAC Name: 5-[3-naphtho[2,3-b][1]benzofuran-1-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-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1
• InChI: InChI=1S/C65H38N4O/c1-2-15-39(16-3-1)63-66-64(44-29-31-50-48-23-9-8-21-46(48)47-22-10-11-24-49(47)54(50)35-44)68-65(67-63)53-32-30-45(69-58-27-13-12-25-51(58)56-33-40-17-4-6-19-42(40)36-59(56)69)38-55(53)52-26-14-28-60-62(52)57-34-41-18-5-7-20-43(41)37-61(57)70-60/h1-38H
• InChIKey: VHRZPLAYYYHQBX-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.05
LogP ≤ 5	17.30
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-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155431014) is 5-[3-naphtho[2,3-b][1]benzofuran-1-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-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The canonical SMILES for 5-[3-naphtho[2,3-b][1]benzofuran-1-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-c3cccc4oc5cc6ccccc6cc5c34)n2)cc1.

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

The InChIKey is VHRZPLAYYYHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4O/c1-2-15-39(16-3-1)63-66-64(44-29-31-50-48-23-9-8-21-46(48)47-22-10-11-24-49(47)54(50)35-44)68-65(67-63)53-32-30-45(69-58-27-13-12-25-51(58)56-33-40-17-4-6-19-42(40)36-59(56)69)38-55(53)52-26-14-28-60-62(52)57-34-41-18-5-7-20-43(41)37-61(57)70-60/h1-38H.

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

5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 891.05 g/mol, XLogP of 17.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155431014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).