5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole

C51H31N5O — CID 165165988

About 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole

5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 165165988) has the molecular formula C51H31N5O and a molecular weight of 734.87 g/mol. Its IUPAC name is 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 165165988
• Molecular Formula: C51H31N5O
• Molecular Weight: 734.87 g/mol
• Exact Mass: 734.28
• IUPAC Name: 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cccc34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C51H31N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-37-39-23-14-26-44(48(39)57-45(37)31-34)56-42-25-13-11-22-40(42)46-43(56)30-29-38-36-21-10-12-24-41(36)55(47(38)46)35-19-8-3-9-20-35/h1-31H/i1D,4D,5D,15D,16D
• InChIKey: APXWNMFRBVBAAO-KTZHZIRUSA-N
• XLogP: 12.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.87
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole (CID 165165988) is 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cccc34)n2)c([2H])c1[2H].

What is the InChIKey of 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is APXWNMFRBVBAAO-KTZHZIRUSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-37-39-23-14-26-44(48(39)57-45(37)31-34)56-42-25-13-11-22-40(42)46-43(56)30-29-38-36-21-10-12-24-41(36)55(47(38)46)35-19-8-3-9-20-35/h1-31H/i1D,4D,5D,15D,16D.

What are the key properties of 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole?

5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 734.87 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 165165988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).