9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole

C54H36N4O — CID 162780775

About 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole

9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (PubChem CID 162780775) has the molecular formula C54H36N4O and a molecular weight of 761.94 g/mol. Its IUPAC name is 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
• PubChem CID: 162780775
• Molecular Formula: C54H36N4O
• Molecular Weight: 761.94 g/mol
• Exact Mass: 761.32
• IUPAC Name: 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C6(C)C)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H]
• InChI: InChI=1S/C54H36N4O/c1-54(2)44-24-12-9-22-40(44)49-41(23-15-25-45(49)54)52-55-51(34-18-7-4-8-19-34)56-53(57-52)43-32-36(58-46-26-13-10-20-37(46)38-21-11-14-27-47(38)58)31-42-39-29-28-35(30-48(39)59-50(42)43)33-16-5-3-6-17-33/h3-32H,1-2H3/i3D,5D,6D,16D,17D
• InChIKey: AUFSBMJLOZRCSO-RXCWOGKYSA-N
• XLogP: 13.84
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.94
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole (CID 162780775) is 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)oc2c(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C6(C)C)n4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].

What is the InChIKey of 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?

The InChIKey is AUFSBMJLOZRCSO-RXCWOGKYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)44-24-12-9-22-40(44)49-41(23-15-25-45(49)54)52-55-51(34-18-7-4-8-19-34)56-53(57-52)43-32-36(58-46-26-13-10-20-37(46)38-21-11-14-27-47(38)58)31-42-39-29-28-35(30-48(39)59-50(42)43)33-16-5-3-6-17-33/h3-32H,1-2H3/i3D,5D,6D,16D,17D.

What are the key properties of 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole?

9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole has a molecular weight of 761.94 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 162780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).