9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole

C81H50N4O — CID 129292080

About 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole

9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole (PubChem CID 129292080) has the molecular formula C81H50N4O and a molecular weight of 1095.32 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole
• PubChem CID: 129292080
• Molecular Formula: C81H50N4O
• Molecular Weight: 1095.32 g/mol
• Exact Mass: 1094.40
• IUPAC Name: 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4cc(-c5ccc6oc7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C81H50N4O/c1-5-19-51(20-6-1)61-44-62(52-21-7-2-8-22-52)46-63(45-61)85-74-40-36-56(55-35-39-69-67-31-14-13-29-65(67)66-30-15-16-32-68(66)70(69)47-55)48-71(74)72-49-57(37-41-75(72)85)58-38-42-76-73(50-58)78-64(33-18-34-77(78)86-76)59-27-17-28-60(43-59)81-83-79(53-23-9-3-10-24-53)82-80(84-81)54-25-11-4-12-26-54/h1-50H
• InChIKey: QXJBELAVVSJXDT-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.32
LogP ≤ 5	21.66
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 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole?

The IUPAC name of 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole (CID 129292080) is 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole.

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

The canonical SMILES for 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4cc(-c5ccc6oc7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c7c6c5)ccc43)c2)cc1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole?

The InChIKey is QXJBELAVVSJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N4O/c1-5-19-51(20-6-1)61-44-62(52-21-7-2-8-22-52)46-63(45-61)85-74-40-36-56(55-35-39-69-67-31-14-13-29-65(67)66-30-15-16-32-68(66)70(69)47-55)48-71(74)72-49-57(37-41-75(72)85)58-38-42-76-73(50-58)78-64(33-18-34-77(78)86-76)59-27-17-28-60(43-59)81-83-79(53-23-9-3-10-24-53)82-80(84-81)54-25-11-4-12-26-54/h1-50H.

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

9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole has a molecular weight of 1095.32 g/mol, XLogP of 21.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-6-triphenylen-2-ylcarbazole is sourced from PubChem (CID 129292080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).