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

C51H34N4 — CID 177113527

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

1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 177113527) has the molecular formula C51H34N4 and a molecular weight of 711.92 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-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-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 177113527
• Molecular Formula: C51H34N4
• Molecular Weight: 711.92 g/mol
• Exact Mass: 711.33
• IUPAC Name: 1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)c4)c23)c([2H])c1[2H]
• InChI: InChI=1S/C51H34N4/c1-4-14-35(15-5-1)36-26-30-40(31-27-36)50-52-49(39-18-8-3-9-19-39)53-51(54-50)41-32-28-37(29-33-41)42-20-12-21-43(34-42)55-47-25-11-10-22-45(47)46-24-13-23-44(48(46)55)38-16-6-2-7-17-38/h1-34H/i2D,6D,7D,10D,11D,16D,17D,22D,25D
• InChIKey: WHSOYYIAQBMZME-YUBIGPHRSA-N
• XLogP: 12.97
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.92
LogP ≤ 5	12.97
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-(2,3,4,5,6-pentadeuteriophenyl)-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-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 177113527) is 1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-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-(2,3,4,5,6-pentadeuteriophenyl)-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-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)c4)c23)c([2H])c1[2H].

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

The InChIKey is WHSOYYIAQBMZME-YUBIGPHRSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)36-26-30-40(31-27-36)50-52-49(39-18-8-3-9-19-39)53-51(54-50)41-32-28-37(29-33-41)42-20-12-21-43(34-42)55-47-25-11-10-22-45(47)46-24-13-23-44(48(46)55)38-16-6-2-7-17-38/h1-34H/i2D,6D,7D,10D,11D,16D,17D,22D,25D.

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

1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 711.92 g/mol, XLogP of 12.97, 7 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-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 177113527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).