2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C54H36N6O — CID 163582620

About 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163582620) has the molecular formula C54H36N6O and a molecular weight of 784.92 g/mol. Its IUPAC name is 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 163582620
• Molecular Formula: C54H36N6O
• Molecular Weight: 784.92 g/mol
• Exact Mass: 784.30
• IUPAC Name: 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(C2=NC(c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c6c5c4)c3)NC(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C54H36N6O/c1-5-15-35(16-6-1)36-27-29-40(30-28-36)52-56-51(39-21-11-4-12-22-39)59-54(60-52)44-25-14-26-47-48(44)45-34-42(31-32-46(45)61-47)41-23-13-24-43(33-41)53-57-49(37-17-7-2-8-18-37)55-50(58-53)38-19-9-3-10-20-38/h1-34,53H,(H,55,57,58)
• InChIKey: GIVIKLLXLMTPJX-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.92
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163582620) is 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c6c5c4)c3)NC(c3ccccc3)=N2)cc1.

What is the InChIKey of 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is GIVIKLLXLMTPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6O/c1-5-15-35(16-6-1)36-27-29-40(30-28-36)52-56-51(39-21-11-4-12-22-39)59-54(60-52)44-25-14-26-47-48(44)45-34-42(31-32-46(45)61-47)41-23-13-24-43(33-41)53-57-49(37-17-7-2-8-18-37)55-50(58-53)38-19-9-3-10-20-38/h1-34,53H,(H,55,57,58).

What are the key properties of 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 784.92 g/mol, XLogP of 12.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163582620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).