1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione

C27H20O2 — CID 159953362

IUPAC1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione
SMILESO=C(C(=O)c1ccccc1C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20O2/c28-26(22-16-8-3-9-17-22)27(29)24-19-11-10-18-23(24)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,25H
InChIKeyHZIWRDCRSLBNOH-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.93
Rot. Bonds6

About 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione

1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione (PubChem CID 159953362) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione
PubChem CID159953362
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione
SMILESO=C(C(=O)c1ccccc1C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20O2/c28-26(22-16-8-3-9-17-22)27(29)24-19-11-10-18-23(24)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,25H
InChIKeyHZIWRDCRSLBNOH-UHFFFAOYSA-N
XLogP5.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
3-benzhydryl-2-hydroxybenzoic acid;zinc
CID 70592549
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
[(1S)-1-[(2-benzhydrylbenzoyl)amino]ethyl]boronic acid
CID 53326811
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
1-(2-ethenylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 172775927
1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
CID 102031724

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione (CID 159953362) is 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione is O=C(C(=O)c1ccccc1C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione?
The InChIKey is HZIWRDCRSLBNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2/c28-26(22-16-8-3-9-17-22)27(29)24-19-11-10-18-23(24)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,25H.
What are the key properties of 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione?
1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione has a molecular weight of 376.46 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 159953362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).