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

C53H41N3O2 — CID 170524508

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

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol (PubChem CID 170524508) has the molecular formula C53H41N3O2 and a molecular weight of 751.93 g/mol. Its IUPAC name is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol.

Molecular Properties

• Compound Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
• PubChem CID: 170524508
• Molecular Formula: C53H41N3O2
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.32
• IUPAC Name: 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
• SMILES: Cc1cc(-c2c(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2C(C)C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)c2)n1
• InChI: InChI=1S/C53H41N3O2/c1-32(2)56-48-22-10-8-20-44(48)51(38-24-25-42-41-19-9-11-23-49(41)58-50(42)31-38)52(56)40-26-34(4)54-45(30-40)36-17-13-18-37(27-36)46-28-39(35-15-6-5-7-16-35)29-47(55-46)43-21-12-14-33(3)53(43)57/h5-32,57H,1-4H3
• InChIKey: HOHIHZKMADCXKV-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	14.24
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-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

The IUPAC name of 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol (CID 170524508) is 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-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-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol?

The canonical SMILES for 2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol is Cc1cc(-c2c(-c3ccc4c(c3)oc3ccccc34)c3ccccc3n2C(C)C)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(C)c4O)n3)c2)n1.

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

The InChIKey is HOHIHZKMADCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N3O2/c1-32(2)56-48-22-10-8-20-44(48)51(38-24-25-42-41-19-9-11-23-49(41)58-50(42)31-38)52(56)40-26-34(4)54-45(30-40)36-17-13-18-37(27-36)46-28-39(35-15-6-5-7-16-35)29-47(55-46)43-21-12-14-33(3)53(43)57/h5-32,57H,1-4H3.

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

2-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol has a molecular weight of 751.93 g/mol, XLogP of 14.24, 7 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-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol is sourced from PubChem (CID 170524508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).