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

C70H39N3O3 — CID 156734906

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

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 156734906) has the molecular formula C70H39N3O3 and a molecular weight of 970.10 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• PubChem CID: 156734906
• Molecular Formula: C70H39N3O3
• Molecular Weight: 970.10 g/mol
• Exact Mass: 969.30
• IUPAC Name: 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9c8oc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc3)ccc21
• InChI: InChI=1S/C70H39N3O3/c1-6-23-55-44(14-1)45-15-2-7-24-56(45)70(55)57-25-8-3-16-46(57)53-38-42(34-36-58(53)70)40-30-32-41(33-31-40)43-35-37-61-54(39-43)65-51(21-13-29-63(65)75-61)68-71-67(50-20-12-28-62-64(50)49-18-5-10-27-60(49)74-62)72-69(73-68)52-22-11-19-48-47-17-4-9-26-59(47)76-66(48)52/h1-39H
• InChIKey: PWSWJGRVKHINHF-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 78.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.10
LogP ≤ 5	18.25
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-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 156734906) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9c8oc8ccccc89)nc(-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)cc3)ccc21.

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

The InChIKey is PWSWJGRVKHINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H39N3O3/c1-6-23-55-44(14-1)45-15-2-7-24-56(45)70(55)57-25-8-3-16-46(57)53-38-42(34-36-58(53)70)40-30-32-41(33-31-40)43-35-37-61-54(39-43)65-51(21-13-29-63(65)75-61)68-71-67(50-20-12-28-62-64(50)49-18-5-10-27-60(49)74-62)72-69(73-68)52-22-11-19-48-47-17-4-9-26-59(47)76-66(48)52/h1-39H.

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

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 970.10 g/mol, XLogP of 18.25, 5 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-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156734906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).