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

C70H41N3O3 — CID 166003091

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

2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166003091) has the molecular formula C70H41N3O3 and a molecular weight of 972.12 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 166003091
• Molecular Formula: C70H41N3O3
• Molecular Weight: 972.12 g/mol
• Exact Mass: 971.31
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C70H41N3O3/c1-3-15-47(16-4-1)70(48-17-5-2-6-18-48)57-24-10-7-19-49(57)50-36-33-45(41-58(50)70)43-31-29-42(30-32-43)44-34-37-62-56(39-44)66-54(23-14-28-64(66)76-62)69-72-67(46-35-38-61-55(40-46)51-20-8-11-25-59(51)74-61)71-68(73-69)53-22-13-27-63-65(53)52-21-9-12-26-60(52)75-63/h1-41H
• InChIKey: AQTKLVYRAYMGNF-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 78.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.12
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166003091) is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccc%10oc%11ccccc%11c%10c9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)cc4)cc32)cc1.

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

The InChIKey is AQTKLVYRAYMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O3/c1-3-15-47(16-4-1)70(48-17-5-2-6-18-48)57-24-10-7-19-49(57)50-36-33-45(41-58(50)70)43-31-29-42(30-32-43)44-34-37-62-56(39-44)66-54(23-14-28-64(66)76-62)69-72-67(46-35-38-61-55(40-46)51-20-8-11-25-59(51)74-61)71-68(73-69)53-22-13-27-63-65(53)52-21-9-12-26-60(52)75-63/h1-41H.

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

2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 972.12 g/mol, XLogP of 18.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166003091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).