2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole

C90H53N9O2 — CID 170371029

About 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole

2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 170371029) has the molecular formula C90H53N9O2 and a molecular weight of 1292.47 g/mol. Its IUPAC name is 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
• PubChem CID: 170371029
• Molecular Formula: C90H53N9O2
• Molecular Weight: 1292.47 g/mol
• Exact Mass: 1291.43
• IUPAC Name: 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc8c7oc7ccc(-c9nc(-c%10ccccc%10)nc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc78)c6c5)c4)c3)nc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)n2)cc1
• InChI: InChI=1S/C90H53N9O2/c1-3-21-54(22-4-1)85-91-87(94-88(92-85)61-44-47-81-71(51-61)69-34-19-41-78(83(69)100-81)97-73-36-12-7-29-63(73)64-30-8-13-37-74(64)97)60-28-18-27-58(50-60)56-25-17-26-57(49-56)59-43-46-68-67-33-9-14-38-75(67)98(80(68)53-59)79-42-20-35-70-72-52-62(45-48-82(72)101-84(70)79)89-93-86(55-23-5-2-6-24-55)95-90(96-89)99-76-39-15-10-31-65(76)66-32-11-16-40-77(66)99/h1-53H
• InChIKey: ZQAKLXCGPXSAIS-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 118.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1292.47
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 170371029) is 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

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

The canonical SMILES for 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccc8c7oc7ccc(-c9nc(-c%10ccccc%10)nc(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc78)c6c5)c4)c3)nc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)n2)cc1.

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

The InChIKey is ZQAKLXCGPXSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H53N9O2/c1-3-21-54(22-4-1)85-91-87(94-88(92-85)61-44-47-81-71(51-61)69-34-19-41-78(83(69)100-81)97-73-36-12-7-29-63(73)64-30-8-13-37-74(64)97)60-28-18-27-58(50-60)56-25-17-26-57(49-56)59-43-46-68-67-33-9-14-38-75(67)98(80(68)53-59)79-42-20-35-70-72-52-62(45-48-82(72)101-84(70)79)89-93-86(55-23-5-2-6-24-55)95-90(96-89)99-76-39-15-10-31-65(76)66-32-11-16-40-77(66)99/h1-53H.

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

2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 1292.47 g/mol, XLogP of 22.82, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 170371029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).