4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile

C89H54N8O2 — CID 139381615

About 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile

4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile (PubChem CID 139381615) has the molecular formula C89H54N8O2 and a molecular weight of 1267.46 g/mol. Its IUPAC name is 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
• PubChem CID: 139381615
• Molecular Formula: C89H54N8O2
• Molecular Weight: 1267.46 g/mol
• Exact Mass: 1266.44
• IUPAC Name: 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
• SMILES: CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc(-c6ccc(C#N)cc6)cc5)ccc5c4oc4ccccc45)n3)c2-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccc(C#N)cc7)ccc7c6oc6ccccc67)cc5)n4)c3)c21
• InChI: InChI=1S/C89H54N8O2/c1-89(2)74-27-15-26-73(87-95-84(61-18-7-4-8-19-61)96-88(97-87)79-66(47-49-71-69-23-10-12-29-76(69)99-82(71)79)58-40-38-56(39-41-58)55-34-30-53(51-90)31-35-55)78(74)72-25-14-24-67(80(72)89)63-20-13-21-64(50-63)86-93-83(60-16-5-3-6-17-60)92-85(94-86)62-44-42-59(43-45-62)77-65(57-36-32-54(52-91)33-37-57)46-48-70-68-22-9-11-28-75(68)98-81(70)77/h3-50H,1-2H3
• InChIKey: YHBJSBIDJSHLNW-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 151.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1267.46
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile (CID 139381615) is 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile.

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

The canonical SMILES for 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile is CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc(-c6ccc(C#N)cc6)cc5)ccc5c4oc4ccccc45)n3)c2-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6c(-c7ccc(C#N)cc7)ccc7c6oc6ccccc67)cc5)n4)c3)c21.

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

The InChIKey is YHBJSBIDJSHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H54N8O2/c1-89(2)74-27-15-26-73(87-95-84(61-18-7-4-8-19-61)96-88(97-87)79-66(47-49-71-69-23-10-12-29-76(69)99-82(71)79)58-40-38-56(39-41-58)55-34-30-53(51-90)31-35-55)78(74)72-25-14-24-67(80(72)89)63-20-13-21-64(50-63)86-93-83(60-16-5-3-6-17-60)92-85(94-86)62-44-42-59(43-45-62)77-65(57-36-32-54(52-91)33-37-57)46-48-70-68-22-9-11-28-75(68)98-81(70)77/h3-50H,1-2H3.

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

4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile has a molecular weight of 1267.46 g/mol, XLogP of 22.24, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 139381615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).