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

C70H41N3O2 — CID 166002344

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

2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002344) has the molecular formula C70H41N3O2 and a molecular weight of 956.12 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 166002344
• Molecular Formula: C70H41N3O2
• Molecular Weight: 956.12 g/mol
• Exact Mass: 955.32
• IUPAC Name: 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9c8C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)c7)cc6c45)n3)c2)cc1
• InChI: InChI=1S/C70H41N3O2/c1-2-17-42(18-3-1)43-19-13-22-47(40-43)67-71-68(73-69(72-67)56-31-15-29-54-52-26-7-11-35-61(52)75-66(54)56)55-30-16-36-63-64(55)57-41-45(37-38-62(57)74-63)44-20-12-21-46(39-44)48-27-14-28-53-51-25-6-10-34-60(51)70(65(48)53)58-32-8-4-23-49(58)50-24-5-9-33-59(50)70/h1-41H
• InChIKey: ASEIIHDXGDWFOR-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.12
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002344) is 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9c8C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)c7)cc6c45)n3)c2)cc1.

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

The InChIKey is ASEIIHDXGDWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O2/c1-2-17-42(18-3-1)43-19-13-22-47(40-43)67-71-68(73-69(72-67)56-31-15-29-54-52-26-7-11-35-61(52)75-66(54)56)55-30-16-36-63-64(55)57-41-45(37-38-62(57)74-63)44-20-12-21-46(39-44)48-27-14-28-53-51-25-6-10-34-60(51)70(65(48)53)58-32-8-4-23-49(58)50-24-5-9-33-59(50)70/h1-41H.

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

2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 956.12 g/mol, XLogP of 18.02, 6 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-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).