1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane

C52H48Si — CID 157135548

IUPAC1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane
SMILESCC(c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18.C19H18Si.C13H12/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2*2-16H,1H3;2-10H,1H3
InChIKeyAJORQNIJLJNWBW-UHFFFAOYSA-N
MW701.04 g/mol
LogP11.49
Rot. Bonds7

About 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane

1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane (PubChem CID 157135548) has the molecular formula C52H48Si and a molecular weight of 701.04 g/mol. Its IUPAC name is 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane.

Molecular Properties

Compound Name1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane
PubChem CID157135548
Molecular FormulaC52H48Si
Molecular Weight701.04 g/mol
Exact Mass700.35
IUPAC Name1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane
SMILESCC(c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18.C19H18Si.C13H12/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2*2-16H,1H3;2-10H,1H3
InChIKeyAJORQNIJLJNWBW-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.04
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
trimethyl-[4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]phenyl]silane
CID 158510434
1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene
CID 142097141

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane?
The IUPAC name of 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane (CID 157135548) is 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane.
What is the SMILES notation for 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane?
The canonical SMILES for 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane is CC(c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane?
The InChIKey is AJORQNIJLJNWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C19H18Si.C13H12/c2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2*2-16H,1H3;2-10H,1H3.
What are the key properties of 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane?
1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane has a molecular weight of 701.04 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane is sourced from PubChem (CID 157135548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).