2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C70H43N3O — CID 153369287

About 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153369287) has the molecular formula C70H43N3O and a molecular weight of 942.13 g/mol. Its IUPAC name is 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 153369287
• Molecular Formula: C70H43N3O
• Molecular Weight: 942.13 g/mol
• Exact Mass: 941.34
• IUPAC Name: 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccc(-c9cccc%10c9-c9ccccc9C%10(c9ccccc9)c9ccccc9)cc8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C70H43N3O/c1-5-19-44(20-6-1)67-71-68(45-21-7-2-8-22-45)73-69(72-67)57-31-18-34-64-66(57)60-42-47(37-40-63(60)74-64)46-35-38-54-52-27-13-14-28-53(52)55-39-36-48(43-59(55)58(54)41-46)51-30-17-33-62-65(51)56-29-15-16-32-61(56)70(62,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
• InChIKey: VPLUHHXJRAHBMZ-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.13
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 153369287) is 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccc(-c9cccc%10c9-c9ccccc9C%10(c9ccccc9)c9ccccc9)cc8c7c6)cc5c34)n2)cc1.

What is the InChIKey of 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is VPLUHHXJRAHBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3O/c1-5-19-44(20-6-1)67-71-68(45-21-7-2-8-22-45)73-69(72-67)57-31-18-34-64-66(57)60-42-47(37-40-63(60)74-64)46-35-38-54-52-27-13-14-28-53(52)55-39-36-48(43-59(55)58(54)41-46)51-30-17-33-62-65(51)56-29-15-16-32-61(56)70(62,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H.

What are the key properties of 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 942.13 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153369287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).