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

C56H38N6O — CID 138600966

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

2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138600966) has the molecular formula C56H38N6O and a molecular weight of 810.96 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 138600966
• Molecular Formula: C56H38N6O
• Molecular Weight: 810.96 g/mol
• Exact Mass: 810.31
• IUPAC Name: 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(C)c9)n8)cc7)c6c5c4)cc3)n2)c1
• InChI: InChI=1S/C56H38N6O/c1-35-12-9-18-44(32-35)55-59-51(39-14-5-3-6-15-39)57-53(61-55)41-26-22-37(23-27-41)43-30-31-48-47(34-43)50-46(20-11-21-49(50)63-48)38-24-28-42(29-25-38)54-58-52(40-16-7-4-8-17-40)60-56(62-54)45-19-10-13-36(2)33-45/h3-34H,1-2H3
• InChIKey: YTCORERSSKHXDU-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 90.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.96
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 138600966) is 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc(C)c9)n8)cc7)c6c5c4)cc3)n2)c1.

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

The InChIKey is YTCORERSSKHXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6O/c1-35-12-9-18-44(32-35)55-59-51(39-14-5-3-6-15-39)57-53(61-55)41-26-22-37(23-27-41)43-30-31-48-47(34-43)50-46(20-11-21-49(50)63-48)38-24-28-42(29-25-38)54-58-52(40-16-7-4-8-17-40)60-56(62-54)45-19-10-13-36(2)33-45/h3-34H,1-2H3.

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

2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 810.96 g/mol, XLogP of 13.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138600966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).