7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole

C64H36N6O3 — CID 166583497

About 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole

7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 166583497) has the molecular formula C64H36N6O3 and a molecular weight of 937.03 g/mol. Its IUPAC name is 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
• PubChem CID: 166583497
• Molecular Formula: C64H36N6O3
• Molecular Weight: 937.03 g/mol
• Exact Mass: 936.28
• IUPAC Name: 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
• SMILES: c1ccc(-c2nc3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9cccc%10c9oc9ccccc9%10)nc(-c9cccc%10c9oc9ccccc9%10)n8)c7c65)cc4)c3o2)cc1
• InChI: InChI=1S/C64H36N6O3/c1-2-15-38(16-3-1)63-65-51-26-14-21-40(60(51)73-63)37-31-33-39(34-32-37)69-52-27-8-4-17-41(52)45-35-36-46-42-18-5-9-28-53(42)70(57(46)56(45)69)64-67-61(49-24-12-22-47-43-19-6-10-29-54(43)71-58(47)49)66-62(68-64)50-25-13-23-48-44-20-7-11-30-55(44)72-59(48)50/h1-36H
• InChIKey: IKANRUFQORDUCI-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 100.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.03
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole?

The IUPAC name of 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 166583497) is 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole.

What is the SMILES notation for 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole?

The canonical SMILES for 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9cccc%10c9oc9ccccc9%10)nc(-c9cccc%10c9oc9ccccc9%10)n8)c7c65)cc4)c3o2)cc1.

What is the InChIKey of 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole?

The InChIKey is IKANRUFQORDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6O3/c1-2-15-38(16-3-1)63-65-51-26-14-21-40(60(51)73-63)37-31-33-39(34-32-37)69-52-27-8-4-17-41(52)45-35-36-46-42-18-5-9-28-53(42)70(57(46)56(45)69)64-67-61(49-24-12-22-47-43-19-6-10-29-54(43)71-58(47)49)66-62(68-64)50-25-13-23-48-44-20-7-11-30-55(44)72-59(48)50/h1-36H.

What are the key properties of 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole?

7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 937.03 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 166583497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).