1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole

C57H36N4O — CID 177275454

About 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole

1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole (PubChem CID 177275454) has the molecular formula C57H36N4O and a molecular weight of 796.97 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole
• PubChem CID: 177275454
• Molecular Formula: C57H36N4O
• Molecular Weight: 796.97 g/mol
• Exact Mass: 796.31
• IUPAC Name: 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccccc3-c3ccccc3)cccc1n2-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
• InChI: InChI=1S/C57H36N4O/c1-3-15-37(16-4-1)38-29-31-40(32-30-38)55-58-56(60-57(59-55)42-33-34-47-46-23-10-12-28-52(46)62-53(47)36-42)41-19-13-20-43(35-41)61-50-26-11-9-24-49(50)54-48(25-14-27-51(54)61)45-22-8-7-21-44(45)39-17-5-2-6-18-39/h1-36H/i9D,11D,24D,26D
• InChIKey: RSYCQOULAXDEFY-GQOUTNAWSA-N
• XLogP: 14.87
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.97
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole (CID 177275454) is 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole.

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

The canonical SMILES for 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccccc3-c3ccccc3)cccc1n2-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.

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

The InChIKey is RSYCQOULAXDEFY-GQOUTNAWSA-N. The full InChI is InChI=1S/C57H36N4O/c1-3-15-37(16-4-1)38-29-31-40(32-30-38)55-58-56(60-57(59-55)42-33-34-47-46-23-10-12-28-52(46)62-53(47)36-42)41-19-13-20-43(35-41)61-50-26-11-9-24-49(50)54-48(25-14-27-51(54)61)45-22-8-7-21-44(45)39-17-5-2-6-18-39/h1-36H/i9D,11D,24D,26D.

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

1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole has a molecular weight of 796.97 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177275454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).