1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone

C19H12Cl2N4O — CID 162663200

IUPAC1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
SMILESO=C(Cn1cnc2c(-c3ccccc3)ncnc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4O/c20-13-6-7-14(15(21)8-13)16(26)9-25-11-24-18-17(22-10-23-19(18)25)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyUYTCULYYEXFDEZ-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.68
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone

1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone (PubChem CID 162663200) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
PubChem CID162663200
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
SMILESO=C(Cn1cnc2c(-c3ccccc3)ncnc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4O/c20-13-6-7-14(15(21)8-13)16(26)9-25-11-24-18-17(22-10-23-19(18)25)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyUYTCULYYEXFDEZ-UHFFFAOYSA-N
XLogP4.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone (CID 162663200) is 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone is O=C(Cn1cnc2c(-c3ccccc3)ncnc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone?
The InChIKey is UYTCULYYEXFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-13-6-7-14(15(21)8-13)16(26)9-25-11-24-18-17(22-10-23-19(18)25)12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone has a molecular weight of 383.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone is sourced from PubChem (CID 162663200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).