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

C64H39N3O2 — CID 174361924

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

2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174361924) has the molecular formula C64H39N3O2 and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
• PubChem CID: 174361924
• Molecular Formula: C64H39N3O2
• Molecular Weight: 882.04 g/mol
• Exact Mass: 881.30
• IUPAC Name: 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3oc4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9cccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)c9)n8)c7c6c5)ccc4c3c2)cc1
• InChI: InChI=1S/C64H39N3O2/c1-4-16-40(17-5-1)42-31-34-56-52(37-42)50-33-30-44(39-59(50)69-56)43-32-35-57-53(38-43)60-51(26-15-29-58(60)68-57)63-66-61(41-18-6-2-7-19-41)65-62(67-63)45-20-14-23-47(36-45)64(46-21-8-3-9-22-46)54-27-12-10-24-48(54)49-25-11-13-28-55(49)64/h1-39H
• InChIKey: BBSGIOOCTVOOEH-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.04
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 174361924) is 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3oc4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9cccc(C%10(c%11ccccc%11)c%11ccccc%11-c%11ccccc%11%10)c9)n8)c7c6c5)ccc4c3c2)cc1.

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

The InChIKey is BBSGIOOCTVOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3O2/c1-4-16-40(17-5-1)42-31-34-56-52(37-42)50-33-30-44(39-59(50)69-56)43-32-35-57-53(38-43)60-51(26-15-29-58(60)68-57)63-66-61(41-18-6-2-7-19-41)65-62(67-63)45-20-14-23-47(36-45)64(46-21-8-3-9-22-46)54-27-12-10-24-48(54)49-25-11-13-28-55(49)64/h1-39H.

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

2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 882.04 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174361924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).