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

C55H82Y-2 — CID 159358312

IUPAC[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18.2C7H8.8C2H6.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;2*1-7-5-3-2-4-6-7;8*1-2;/h1-17,19H;2*2-6H,1H3;8*1-2H3;/q-2;;;;;;;;;;;
InChIKeyMQANBRMRUXFWKW-UHFFFAOYSA-N
MW832.17 g/mol
LogP17.87
Rot. Bonds4

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

[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium (PubChem CID 159358312) has the molecular formula C55H82Y-2 and a molecular weight of 832.17 g/mol. Its IUPAC name is [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium.

Molecular Properties

Compound Name[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium
PubChem CID159358312
Molecular FormulaC55H82Y-2
Molecular Weight832.17 g/mol
Exact Mass831.55
IUPAC Name[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18.2C7H8.8C2H6.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;2*1-7-5-3-2-4-6-7;8*1-2;/h1-17,19H;2*2-6H,1H3;8*1-2H3;/q-2;;;;;;;;;;;
InChIKeyMQANBRMRUXFWKW-UHFFFAOYSA-N
XLogP17.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.17
LogP ≤ 517.87
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

[diphenyl(phenyl)methyl]benzene;ethane;yttrium
CID 159848686
tris(tert-butylbenzene);ethane;toluene
CID 158234120
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CID 22957062
benzene;ethane;toluene
CID 158929596
ethane;toluene
CID 91350799
ethane;toluene;trifluoromethylbenzene
CID 161105309
chloromethane;toluene
CID 178022822
benzene;toluene
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CID 101240530
titanium(2+);toluene
CID 22023820
bis(tert-butylbenzene);imino(oxo)zirconium
CID 175344733
benzene;carbanide;toluene;tungsten(2+)
CID 143728683

Frequently Asked Questions

What is the IUPAC name of [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium?
The IUPAC name of [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium (CID 159358312) is [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium.
What is the SMILES notation for [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium?
The canonical SMILES for [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.[Y].[c-]1ccccc1C(c1[c-]cccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium?
The InChIKey is MQANBRMRUXFWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.2C7H8.8C2H6.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;2*1-7-5-3-2-4-6-7;8*1-2;/h1-17,19H;2*2-6H,1H3;8*1-2H3;/q-2;;;;;;;;;;;.
What are the key properties of [diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium?
[diphenyl(phenyl)methyl]benzene;ethane;toluene;yttrium has a molecular weight of 832.17 g/mol, XLogP of 17.87, 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;toluene;yttrium is sourced from PubChem (CID 159358312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).