5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C108H68N8O3S — CID 163717305

About 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 163717305) has the molecular formula C108H68N8O3S and a molecular weight of 1557.85 g/mol. Its IUPAC name is 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 163717305
• Molecular Formula: C108H68N8O3S
• Molecular Weight: 1557.85 g/mol
• Exact Mass: 1556.51
• IUPAC Name: 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-c8cccc9c8oc8ccccc89)n7)cccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-c8cccc9c8sc8ccccc89)n7)cccc6c5c4)c3cc21
• InChI: InChI=1S/C54H34N4O2.C54H34N4OS/c1-54(2)43-23-9-6-16-33(43)40-29-41-34-17-7-10-24-45(34)58(46(41)30-44(40)54)32-26-27-48-42(28-32)37-20-13-22-39(50(37)60-48)53-56-51(31-14-4-3-5-15-31)55-52(57-53)38-21-12-19-36-35-18-8-11-25-47(35)59-49(36)38;1-54(2)43-23-9-6-16-33(43)40-29-41-34-17-7-10-24-45(34)58(46(41)30-44(40)54)32-26-27-47-42(28-32)36-19-12-21-38(49(36)59-47)52-55-51(31-14-4-3-5-15-31)56-53(57-52)39-22-13-20-37-35-18-8-11-25-48(35)60-50(37)39/h2*3-30H,1-2H3
• InChIKey: KOMGJBBPCUWXBH-UHFFFAOYSA-N
• XLogP: 28.62
• TPSA: 126.62 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.85
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 163717305) is 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-c8cccc9c8oc8ccccc89)n7)cccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7nc(-c8ccccc8)nc(-c8cccc9c8sc8ccccc89)n7)cccc6c5c4)c3cc21.

What is the InChIKey of 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is KOMGJBBPCUWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2.C54H34N4OS/c1-54(2)43-23-9-6-16-33(43)40-29-41-34-17-7-10-24-45(34)58(46(41)30-44(40)54)32-26-27-48-42(28-32)37-20-13-22-39(50(37)60-48)53-56-51(31-14-4-3-5-15-31)55-52(57-53)38-21-12-19-36-35-18-8-11-25-47(35)59-49(36)38;1-54(2)43-23-9-6-16-33(43)40-29-41-34-17-7-10-24-45(34)58(46(41)30-44(40)54)32-26-27-47-42(28-32)36-19-12-21-38(49(36)59-47)52-55-51(31-14-4-3-5-15-31)56-53(57-52)39-22-13-20-37-35-18-8-11-25-48(35)60-50(37)39/h2*3-30H,1-2H3.

What are the key properties of 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1557.85 g/mol, XLogP of 28.62, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 163717305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).