[diphenyl(phenyl)methyl]benzene;ethane;yttrium

C37H54Y-2 — CID 159848686

IUPAC[diphenyl(phenyl)methyl]benzene;ethane;yttrium
SMILESCC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18.6C2H6.Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2;/h1-17,19H;6*1-2H3;/q-2;;;;;;;
InChIKeyOXSNWYNPEPBALW-UHFFFAOYSA-N
MW587.75 g/mol
LogP11.82
Rot. Bonds4

About [diphenyl(phenyl)methyl]benzene;ethane;yttrium

[diphenyl(phenyl)methyl]benzene;ethane;yttrium (PubChem CID 159848686) has the molecular formula C37H54Y-2 and a molecular weight of 587.75 g/mol. Its IUPAC name is [diphenyl(phenyl)methyl]benzene;ethane;yttrium.

Molecular Properties

Compound Name[diphenyl(phenyl)methyl]benzene;ethane;yttrium
PubChem CID159848686
Molecular FormulaC37H54Y-2
Molecular Weight587.75 g/mol
Exact Mass587.33
IUPAC Name[diphenyl(phenyl)methyl]benzene;ethane;yttrium
SMILESCC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18.6C2H6.Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2;/h1-17,19H;6*1-2H3;/q-2;;;;;;;
InChIKeyOXSNWYNPEPBALW-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159358312
ethane;phenylbenzene;yttrium
CID 161119758
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bis(tert-butylbenzene);imino(oxo)zirconium
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1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 138632205
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;chloromethane;ethane
CID 91149652
zinc;methylbenzene;chloride
CID 22283008
benzene;benzene;ethane;naphthalene;yttrium
CID 158762188
1-chloro-4-tritylbenzene
CID 14737307
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
1-(3-tert-butylbenzene-6-id-1-yl)-3-[diphenyl-(1-phenylpyrazol-3-yl)methyl]pyrazole;platinum(2+)
CID 59645944

Frequently Asked Questions

What is the IUPAC name of [diphenyl(phenyl)methyl]benzene;ethane;yttrium?
The IUPAC name of [diphenyl(phenyl)methyl]benzene;ethane;yttrium (CID 159848686) is [diphenyl(phenyl)methyl]benzene;ethane;yttrium.
What is the SMILES notation for [diphenyl(phenyl)methyl]benzene;ethane;yttrium?
The canonical SMILES for [diphenyl(phenyl)methyl]benzene;ethane;yttrium is CC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(phenyl)methyl]benzene;ethane;yttrium?
The InChIKey is OXSNWYNPEPBALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.6C2H6.Y/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*1-2;/h1-17,19H;6*1-2H3;/q-2;;;;;;;.
What are the key properties of [diphenyl(phenyl)methyl]benzene;ethane;yttrium?
[diphenyl(phenyl)methyl]benzene;ethane;yttrium has a molecular weight of 587.75 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(phenyl)methyl]benzene;ethane;yttrium is sourced from PubChem (CID 159848686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).