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

C70H43N3O2 — CID 153369192

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

2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 153369192) has the molecular formula C70H43N3O2 and a molecular weight of 958.13 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 153369192
• Molecular Formula: C70H43N3O2
• Molecular Weight: 958.13 g/mol
• Exact Mass: 957.34
• IUPAC Name: 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)cc7)cc6c45)n3)c2)cc1
• InChI: InChI=1S/C70H43N3O2/c1-4-18-44(19-5-1)47-20-14-21-49(42-47)67-71-68(73-69(72-67)57-31-15-29-54-53-26-11-13-34-61(53)75-66(54)57)56-30-17-35-63-65(56)58-43-48(40-41-62(58)74-63)45-36-38-46(39-37-45)52-28-16-33-60-64(52)55-27-10-12-32-59(55)70(60,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H
• InChIKey: NZGIFGLBNDDDEW-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-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 153369192) is 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)cc7)cc6c45)n3)c2)cc1.

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

The InChIKey is NZGIFGLBNDDDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3O2/c1-4-18-44(19-5-1)47-20-14-21-49(42-47)67-71-68(73-69(72-67)57-31-15-29-54-53-26-11-13-34-61(53)75-66(54)57)56-30-17-35-63-65(56)58-43-48(40-41-62(58)74-63)45-36-38-46(39-37-45)52-28-16-33-60-64(52)55-27-10-12-32-59(55)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-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-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-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153369192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).