6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

C59H36N4O2 — CID 146581619

About 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 146581619) has the molecular formula C59H36N4O2 and a molecular weight of 832.96 g/mol. Its IUPAC name is 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
• PubChem CID: 146581619
• Molecular Formula: C59H36N4O2
• Molecular Weight: 832.96 g/mol
• Exact Mass: 832.28
• IUPAC Name: 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc(C7(c8ccc9nc(-c%10ccccc%10)oc9c8)c8ccccc8-c8ccccc87)cc6)cc5c4c3)n2)cc1
• InChI: InChI=1S/C59H36N4O2/c1-4-14-38(15-5-1)55-61-56(39-16-6-2-7-17-39)63-57(62-55)42-27-33-53-48(35-42)47-34-41(26-32-52(47)64-53)37-24-28-43(29-25-37)59(49-22-12-10-20-45(49)46-21-11-13-23-50(46)59)44-30-31-51-54(36-44)65-58(60-51)40-18-8-3-9-19-40/h1-36H
• InChIKey: VNSCJHPNLYDASQ-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.96
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (CID 146581619) is 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.

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

The canonical SMILES for 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc(C7(c8ccc9nc(-c%10ccccc%10)oc9c8)c8ccccc8-c8ccccc87)cc6)cc5c4c3)n2)cc1.

What is the InChIKey of 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?

The InChIKey is VNSCJHPNLYDASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O2/c1-4-14-38(15-5-1)55-61-56(39-16-6-2-7-17-39)63-57(62-55)42-27-33-53-48(35-42)47-34-41(26-32-52(47)64-53)37-24-28-43(29-25-37)59(49-22-12-10-20-45(49)46-21-11-13-23-50(46)59)44-30-31-51-54(36-44)65-58(60-51)40-18-8-3-9-19-40/h1-36H.

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

6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 832.96 g/mol, XLogP of 14.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 146581619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).