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

C70H43N3O2 — CID 146651227

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

2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine (PubChem CID 146651227) has the molecular formula C70H43N3O2 and a molecular weight of 958.13 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146651227
• Molecular Formula: C70H43N3O2
• Molecular Weight: 958.13 g/mol
• Exact Mass: 957.34
• IUPAC Name: 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5cccc(-c6ccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc6)c5)cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C70H43N3O2/c1-4-18-46(19-5-1)67-71-68(56-30-17-35-63-65(56)55-27-11-13-34-61(55)74-63)73-69(72-67)57-31-15-29-53-58-43-49(40-41-62(58)75-66(53)57)48-21-14-20-47(42-48)44-36-38-45(39-37-44)52-28-16-33-60-64(52)54-26-10-12-32-59(54)70(60,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H
• InChIKey: PUULLVZXAUWSEM-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.13
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine (CID 146651227) is 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccc(-c5cccc(-c6ccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc6)c5)cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.

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

The InChIKey is PUULLVZXAUWSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3O2/c1-4-18-46(19-5-1)67-71-68(56-30-17-35-63-65(56)55-27-11-13-34-61(55)74-63)73-69(72-67)57-31-15-29-53-58-43-49(40-41-62(58)75-66(53)57)48-21-14-20-47(42-48)44-36-38-45(39-37-44)52-28-16-33-60-64(52)54-26-10-12-32-59(54)70(60,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H.

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

2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 958.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146651227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).