magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide

C78H59BrF4MgN2O3 — CID 158267022

IUPACmagnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide
SMILESFc1[c-]cccc1.N#CC(c1ccccc1)(c1ccccc1)c1ccccc1F.NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1F.[Br-].[Mg+2]
InChIInChI=1S/C20H16FNO.C20H14FN.C19H15FO.C13H10O.C6H4F.BrH.Mg/c21-18-14-8-7-13-17(18)20(19(22)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16;21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17;20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;;/h1-14H,(H2,22,23);1-14H;1-14,21H;1-10H;1-4H;1H;/q;;;;-1;;+2/p-1
InChIKeyUJWFEMFWTMUDLT-UHFFFAOYSA-M
MW1252.54 g/mol
LogP13.61
Rot. Bonds12

About magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide

magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide (PubChem CID 158267022) has the molecular formula C78H59BrF4MgN2O3 and a molecular weight of 1252.54 g/mol. Its IUPAC name is magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide.

Molecular Properties

Compound Namemagnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide
PubChem CID158267022
Molecular FormulaC78H59BrF4MgN2O3
Molecular Weight1252.54 g/mol
Exact Mass1250.35
IUPAC Namemagnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide
SMILESFc1[c-]cccc1.N#CC(c1ccccc1)(c1ccccc1)c1ccccc1F.NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1F.[Br-].[Mg+2]
InChIInChI=1S/C20H16FNO.C20H14FN.C19H15FO.C13H10O.C6H4F.BrH.Mg/c21-18-14-8-7-13-17(18)20(19(22)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16;21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17;20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;;/h1-14H,(H2,22,23);1-14H;1-14,21H;1-10H;1-4H;1H;/q;;;;-1;;+2/p-1
InChIKeyUJWFEMFWTMUDLT-UHFFFAOYSA-M
XLogP13.61
TPSA104.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001252.54
LogP ≤ 513.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
CID 24799665
2-(2-fluorophenyl)-2-phenyl-2-sulfamoylacetamide
CID 174943684
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone
CID 3102
2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
CID 168522643
4-[hydroxy(diphenyl)methyl]benzamide
CID 125464922
diphenylmethanone;4-fluoroaniline
CID 174706224
2-(2-ethenylphenyl)-2-hydroxy-2-phenylacetamide
CID 139691139
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
diphenylmethanone;propan-1-amine
CID 174497329

Frequently Asked Questions

What is the IUPAC name of magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide?
The IUPAC name of magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide (CID 158267022) is magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide.
What is the SMILES notation for magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide?
The canonical SMILES for magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide is Fc1[c-]cccc1.N#CC(c1ccccc1)(c1ccccc1)c1ccccc1F.NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)c1ccccc1F.[Br-].[Mg+2].
What is the InChIKey of magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide?
The InChIKey is UJWFEMFWTMUDLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16FNO.C20H14FN.C19H15FO.C13H10O.C6H4F.BrH.Mg/c21-18-14-8-7-13-17(18)20(19(22)23,15-9-3-1-4-10-15)16-11-5-2-6-12-16;21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17;20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;;/h1-14H,(H2,22,23);1-14H;1-14,21H;1-10H;1-4H;1H;/q;;;;-1;;+2/p-1.
What are the key properties of magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide?
magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide has a molecular weight of 1252.54 g/mol, XLogP of 13.61, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide is sourced from PubChem (CID 158267022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).