1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole

C51H33N5 — CID 171461531

About 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole

1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 171461531) has the molecular formula C51H33N5 and a molecular weight of 734.98 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 171461531
• Molecular Formula: C51H33N5
• Molecular Weight: 734.98 g/mol
• Exact Mass: 734.39
• IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H33N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-46-29-13-11-27-42(46)44-31-30-43-41-26-10-12-28-45(41)55(47(43)48(44)56)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h1-33H/i2D,6D,7D,10D,11D,12D,13D,15D,18D,19D,23D,25D,26D,27D,28D,29D,30D,31D,33D
• InChIKey: WJCFQSHXDQXUTI-RMRACVOXSA-N
• XLogP: 12.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.98
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole (CID 171461531) is 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c43)c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole?

The InChIKey is WJCFQSHXDQXUTI-RMRACVOXSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-16-34(17-5-1)37-22-14-24-39(32-37)50-52-49(36-20-8-3-9-21-36)53-51(54-50)56-46-29-13-11-27-42(46)44-31-30-43-41-26-10-12-28-45(41)55(47(43)48(44)56)40-25-15-23-38(33-40)35-18-6-2-7-19-35/h1-33H/i2D,6D,7D,10D,11D,12D,13D,15D,18D,19D,23D,25D,26D,27D,28D,29D,30D,31D,33D.

What are the key properties of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole?

1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 734.98 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 171461531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).