9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C51H34N4 — CID 171420259

About 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 171420259) has the molecular formula C51H34N4 and a molecular weight of 718.96 g/mol. Its IUPAC name is 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 171420259
• Molecular Formula: C51H34N4
• Molecular Weight: 718.96 g/mol
• Exact Mass: 718.38
• IUPAC Name: 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H34N4/c1-4-14-35(15-5-1)39-20-12-22-42(32-39)50-52-49(53-51(54-50)43-23-13-21-40(33-43)36-16-6-2-7-17-36)38-26-29-44(30-27-38)55-47-25-11-10-24-45(47)46-34-41(28-31-48(46)55)37-18-8-3-9-19-37/h1-34H/i3D,8D,9D,10D,11D,18D,19D,24D,25D,26D,27D,28D,29D,30D,31D,34D
• InChIKey: PZUANDBHADWGBX-MQCZWMKMSA-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	718.96
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 171420259) is 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is PZUANDBHADWGBX-MQCZWMKMSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)39-20-12-22-42(32-39)50-52-49(53-51(54-50)43-23-13-21-40(33-43)36-16-6-2-7-17-36)38-26-29-44(30-27-38)55-47-25-11-10-24-45(47)46-34-41(28-31-48(46)55)37-18-8-3-9-19-37/h1-34H/i3D,8D,9D,10D,11D,18D,19D,24D,25D,26D,27D,28D,29D,30D,31D,34D.

What are the key properties of 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 718.96 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 9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 171420259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).