12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

C51H33N5 — CID 172513480

About 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 172513480) has the molecular formula C51H33N5 and a molecular weight of 737.99 g/mol. Its IUPAC name is 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 172513480
• Molecular Formula: C51H33N5
• Molecular Weight: 737.99 g/mol
• Exact Mass: 737.41
• IUPAC Name: 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
• SMILES: [2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])n4)c23)c([2H])c1[2H]
• InChI: InChI=1S/C51H33N5/c1-4-16-34(17-5-1)35-28-30-38(31-29-35)50-52-49(37-20-8-3-9-21-37)53-51(54-50)56-44-26-14-11-23-40(44)41-32-33-46-47(48(41)56)42-24-12-15-27-45(42)55(46)43-25-13-10-22-39(43)36-18-6-2-7-19-36/h1-33H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,16D,17D,18D,19D,20D,21D,25D,28D,29D,30D,31D
• InChIKey: NMYIEOIBIAUOBS-IUYMCQESSA-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	737.99
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (CID 172513480) is 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is [2H]c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])n4)c23)c([2H])c1[2H].

What is the InChIKey of 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is NMYIEOIBIAUOBS-IUYMCQESSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-16-34(17-5-1)35-28-30-38(31-29-35)50-52-49(37-20-8-3-9-21-37)53-51(54-50)56-44-26-14-11-23-40(44)41-32-33-46-47(48(41)56)42-24-12-15-27-45(42)55(46)43-25-13-10-22-39(43)36-18-6-2-7-19-36/h1-33H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,13D,16D,17D,18D,19D,20D,21D,25D,28D,29D,30D,31D.

What are the key properties of 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?

12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 737.99 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 12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-5-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 172513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).