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

C65H38N4O — CID 155430456

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

5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 155430456) has the molecular formula C65H38N4O and a molecular weight of 891.05 g/mol. Its IUPAC name is 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 155430456
• Molecular Formula: C65H38N4O
• Molecular Weight: 891.05 g/mol
• Exact Mass: 890.30
• IUPAC Name: 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4-c4cccc5c4oc4ccccc45)nc(-c4cccc5c6ccccc6c6ccccc6c45)n3)ccc2c1
• InChI: InChI=1S/C65H38N4O/c1-2-16-40-35-43(32-31-39(40)15-1)63-66-64(68-65(67-63)55-28-13-25-51-47-20-6-5-19-45(47)46-21-7-8-24-50(46)61(51)55)54-34-33-44(38-56(54)53-27-14-26-52-49-23-10-12-30-60(49)70-62(52)53)69-58-29-11-9-22-48(58)57-36-41-17-3-4-18-42(41)37-59(57)69/h1-38H
• InChIKey: HHIFQOQRXUEZQC-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-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 155430456) is 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4-c4cccc5c4oc4ccccc45)nc(-c4cccc5c6ccccc6c6ccccc6c45)n3)ccc2c1.

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

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

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

5-[3-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-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-dibenzofuran-4-yl-4-(4-naphthalen-2-yl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).