1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C57H38N4 — CID 177275570

About 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 177275570) has the molecular formula C57H38N4 and a molecular weight of 782.98 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 177275570
• Molecular Formula: C57H38N4
• Molecular Weight: 782.98 g/mol
• Exact Mass: 782.33
• IUPAC Name: 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccccc3-c3ccccc3)c1n2-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)c1
• InChI: InChI=1S/C57H38N4/c1-4-16-39(17-5-1)40-30-34-44(35-31-40)56-58-55(43-20-8-3-9-21-43)59-57(60-56)45-36-32-41(33-37-45)46-22-14-23-47(38-46)61-53-29-13-12-26-50(53)52-28-15-27-51(54(52)61)49-25-11-10-24-48(49)42-18-6-2-7-19-42/h1-38H/i12D,13D,26D,29D
• InChIKey: NZCBZZCARXJUPN-CPCCONDHSA-N
• XLogP: 14.64
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.98
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 177275570) is 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccccc3-c3ccccc3)c1n2-c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)c1.

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

The InChIKey is NZCBZZCARXJUPN-CPCCONDHSA-N. The full InChI is InChI=1S/C57H38N4/c1-4-16-39(17-5-1)40-30-34-44(35-31-40)56-58-55(43-20-8-3-9-21-43)59-57(60-56)45-36-32-41(33-37-45)46-22-14-23-47(38-46)61-53-29-13-12-26-50(53)52-28-15-27-51(54(52)61)49-25-11-10-24-48(49)42-18-6-2-7-19-42/h1-38H/i12D,13D,26D,29D.

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

1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 782.98 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 177275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).