benzene;benzene;ethane;naphthalene;yttrium

C40H60Y-2 — CID 158762188

IUPACbenzene;benzene;ethane;naphthalene;yttrium
SMILESCC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1.[c-]1ccccc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.2C6H5.6C2H6.Y/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-2;/h1-8H;1-6H;2*1-5H;6*1-2H3;/q;;2*-1;;;;;;;
InChIKeyCUKXTVGBCIZNMI-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.65
Rot. Bonds

About benzene;benzene;ethane;naphthalene;yttrium

benzene;benzene;ethane;naphthalene;yttrium (PubChem CID 158762188) has the molecular formula C40H60Y-2 and a molecular weight of 629.83 g/mol. Its IUPAC name is benzene;benzene;ethane;naphthalene;yttrium.

Molecular Properties

Compound Namebenzene;benzene;ethane;naphthalene;yttrium
PubChem CID158762188
Molecular FormulaC40H60Y-2
Molecular Weight629.83 g/mol
Exact Mass629.38
IUPAC Namebenzene;benzene;ethane;naphthalene;yttrium
SMILESCC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1.[c-]1ccccc1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H8.C6H6.2C6H5.6C2H6.Y/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-2;/h1-8H;1-6H;2*1-5H;6*1-2H3;/q;;2*-1;;;;;;;
InChIKeyCUKXTVGBCIZNMI-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;ethane;methane;naphthalene
CID 162063718
carbanide;ethane;naphthalene;bis(yttrium)
CID 162138923
ethane;naphthalene
CID 144512894
benzene;ethane;methanol;naphthalene
CID 159824016
benzene;carbanide;ethane;tungsten(2+)
CID 142860812
benzene;titanium(2+);dichloride
CID 171374998
benzene;manganese;chloride
CID 175787776
naphthalene;hydrate
CID 19828935
benzene;tris(propan-2-ylbenzene);titanium(4+)
CID 141332066
benzene;carbanide;toluene;tungsten(2+)
CID 143728683
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136

Frequently Asked Questions

What is the IUPAC name of benzene;benzene;ethane;naphthalene;yttrium?
The IUPAC name of benzene;benzene;ethane;naphthalene;yttrium (CID 158762188) is benzene;benzene;ethane;naphthalene;yttrium.
What is the SMILES notation for benzene;benzene;ethane;naphthalene;yttrium?
The canonical SMILES for benzene;benzene;ethane;naphthalene;yttrium is CC.CC.CC.CC.CC.CC.[Y].[c-]1ccccc1.[c-]1ccccc1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;benzene;ethane;naphthalene;yttrium?
The InChIKey is CUKXTVGBCIZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H6.2C6H5.6C2H6.Y/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-4-6-5-3-1;6*1-2;/h1-8H;1-6H;2*1-5H;6*1-2H3;/q;;2*-1;;;;;;;.
What are the key properties of benzene;benzene;ethane;naphthalene;yttrium?
benzene;benzene;ethane;naphthalene;yttrium has a molecular weight of 629.83 g/mol, XLogP of 13.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzene;ethane;naphthalene;yttrium is sourced from PubChem (CID 158762188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).