argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane

C52H96Ar4 — CID 165047463

IUPACargon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2c(c(C)c3ccccc13)CCCC2.Cc1c2c(c(C)c3ccccc13)CCCC2.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/2C16H18.10C2H6.4Ar/c2*1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;10*1-2;;;;/h2*3,5,7,9H,4,6,8,10H2,1-2H3;10*1-2H3;;;;
InChIKeyPDDRJQVDEPYHEH-UHFFFAOYSA-N
MW881.13 g/mol
LogP18.93
Rot. Bonds

About argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane

argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane (PubChem CID 165047463) has the molecular formula C52H96Ar4 and a molecular weight of 881.13 g/mol. Its IUPAC name is argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane.

Molecular Properties

Compound Nameargon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
PubChem CID165047463
Molecular FormulaC52H96Ar4
Molecular Weight881.13 g/mol
Exact Mass880.60
IUPAC Nameargon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2c(c(C)c3ccccc13)CCCC2.Cc1c2c(c(C)c3ccccc13)CCCC2.[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/2C16H18.10C2H6.4Ar/c2*1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;10*1-2;;;;/h2*3,5,7,9H,4,6,8,10H2,1-2H3;10*1-2H3;;;;
InChIKeyPDDRJQVDEPYHEH-UHFFFAOYSA-N
XLogP18.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.13
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane?
The IUPAC name of argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane (CID 165047463) is argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane.
What is the SMILES notation for argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane?
The canonical SMILES for argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2c(c(C)c3ccccc13)CCCC2.Cc1c2c(c(C)c3ccccc13)CCCC2.[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane?
The InChIKey is PDDRJQVDEPYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18.10C2H6.4Ar/c2*1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;10*1-2;;;;/h2*3,5,7,9H,4,6,8,10H2,1-2H3;10*1-2H3;;;;.
What are the key properties of argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane?
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane has a molecular weight of 881.13 g/mol, XLogP of 18.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane is sourced from PubChem (CID 165047463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).