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

C51H35N3O — CID 167029717

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

2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 167029717) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
• PubChem CID: 167029717
• Molecular Formula: C51H35N3O
• Molecular Weight: 705.86 g/mol
• Exact Mass: 705.28
• IUPAC Name: 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(C3=NC(c4ccccc4-c4cccc5oc6ccc(-c7cccc(-c8ccccc8)c7)cc6c45)=NC(c4ccccc4)N3)c2)cc1
• InChI: InChI=1S/C51H35N3O/c1-4-15-34(16-5-1)37-21-12-23-39(31-37)40-29-30-46-45(33-40)48-43(27-14-28-47(48)55-46)42-25-10-11-26-44(42)51-53-49(36-19-8-3-9-20-36)52-50(54-51)41-24-13-22-38(32-41)35-17-6-2-7-18-35/h1-33,49H,(H,52,53,54)
• InChIKey: ZMHZDOAEYGKKSC-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 49.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.86
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine (CID 167029717) is 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4ccccc4-c4cccc5oc6ccc(-c7cccc(-c8ccccc8)c7)cc6c45)=NC(c4ccccc4)N3)c2)cc1.

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

The InChIKey is ZMHZDOAEYGKKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-4-15-34(16-5-1)37-21-12-23-39(31-37)40-29-30-46-45(33-40)48-43(27-14-28-47(48)55-46)42-25-10-11-26-44(42)51-53-49(36-19-8-3-9-20-36)52-50(54-51)41-24-13-22-38(32-41)35-17-6-2-7-18-35/h1-33,49H,(H,52,53,54).

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

2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 705.86 g/mol, XLogP of 12.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).