11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane

C66H48N4O — CID 142569292

About 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane (PubChem CID 142569292) has the molecular formula C66H48N4O and a molecular weight of 913.14 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane.

Molecular Properties

• Compound Name: 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
• PubChem CID: 142569292
• Molecular Formula: C66H48N4O
• Molecular Weight: 913.14 g/mol
• Exact Mass: 912.38
• IUPAC Name: 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
• SMILES: CC.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c56)c4)c3)ccc21
• InChI: InChI=1S/C64H42N4O.C2H6/c1-64(2)55-27-10-8-23-49(55)54-37-44(31-34-56(54)64)42-19-12-18-41(35-42)43-20-13-21-45(36-43)48-25-14-26-52-53-33-29-39-15-6-7-22-47(39)59(53)68(60(48)52)63-66-61(40-16-4-3-5-17-40)65-62(67-63)46-30-32-51-50-24-9-11-28-57(50)69-58(51)38-46;1-2/h3-38H,1-2H3;1-2H3
• InChIKey: WPWHERBPDOUIAW-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.14
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane?

The IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane (CID 142569292) is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane.

What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane?

The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane is CC.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c56)c4)c3)ccc21.

What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane?

The InChIKey is WPWHERBPDOUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O.C2H6/c1-64(2)55-27-10-8-23-49(55)54-37-44(31-34-56(54)64)42-19-12-18-41(35-42)43-20-13-21-45(36-43)48-25-14-26-52-53-33-29-39-15-6-7-22-47(39)59(53)68(60(48)52)63-66-61(40-16-4-3-5-17-40)65-62(67-63)46-30-32-51-50-24-9-11-28-57(50)69-58(51)38-46;1-2/h3-38H,1-2H3;1-2H3.

What are the key properties of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane?

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane has a molecular weight of 913.14 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane is sourced from PubChem (CID 142569292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).