2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol

C51H37N3O2 — CID 170524292

About 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol

2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol (PubChem CID 170524292) has the molecular formula C51H37N3O2 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
• PubChem CID: 170524292
• Molecular Formula: C51H37N3O2
• Molecular Weight: 723.88 g/mol
• Exact Mass: 723.29
• IUPAC Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
• SMILES: Cc1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)n2C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)c2)n1
• InChI: InChI=1S/C51H37N3O2/c1-31-13-11-21-43(51(31)55)46-28-37(33-14-5-4-6-15-33)27-45(53-46)35-17-12-16-34(26-35)44-29-38(25-32(2)52-44)50-42-20-8-7-19-41(42)49(54(50)3)36-23-24-40-39-18-9-10-22-47(39)56-48(40)30-36/h4-30,55H,1-3H3
• InChIKey: RFXMXWZYDSYGKZ-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.88
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

The IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol (CID 170524292) is 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol.

What is the SMILES notation for 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

The canonical SMILES for 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol is Cc1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)n2C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)c2)n1.

What is the InChIKey of 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

The InChIKey is RFXMXWZYDSYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O2/c1-31-13-11-21-43(51(31)55)46-28-37(33-14-5-4-6-15-33)27-45(53-46)35-17-12-16-34(26-35)44-29-38(25-32(2)52-44)50-42-20-8-7-19-41(42)49(54(50)3)36-23-24-40-39-18-9-10-22-47(39)56-48(40)30-36/h4-30,55H,1-3H3.

What are the key properties of 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol has a molecular weight of 723.88 g/mol, XLogP of 13.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[4-(3-dibenzofuran-3-yl-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol is sourced from PubChem (CID 170524292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).