11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole

C51H31N5O — CID 165165919

About 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole

11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 165165919) has the molecular formula C51H31N5O and a molecular weight of 739.90 g/mol. Its IUPAC name is 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole
• PubChem CID: 165165919
• Molecular Formula: C51H31N5O
• Molecular Weight: 739.90 g/mol
• Exact Mass: 739.32
• IUPAC Name: 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
• InChI: InChI=1S/C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-39-42-29-36(25-27-47(42)57-48(39)28-34)56-44-23-13-11-21-38(44)41-30-45-40(31-46(41)56)37-20-10-12-22-43(37)55(45)35-18-8-3-9-19-35/h1-31H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
• InChIKey: JWLKCJSFYBCSGR-RIMVHXCBSA-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	739.90
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole?

The IUPAC name of 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 165165919) is 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc34)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].

What is the InChIKey of 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole?

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

What are the key properties of 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole?

11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 739.90 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 11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 165165919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).