ethane;bis(1-ethyl-2-phenylbenzene);propane

C33H42 — CID 145452261

IUPACethane;bis(1-ethyl-2-phenylbenzene);propane
SMILESCC.CCC.CCc1ccccc1-c1ccccc1.CCc1ccccc1-c1ccccc1
InChIInChI=1S/2C14H14.C3H8.C2H6/c2*1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-3-2;1-2/h2*3-11H,2H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIAFKWRXMOVVQGE-UHFFFAOYSA-N
MW438.70 g/mol
LogP10.27
Rot. Bonds4

About ethane;bis(1-ethyl-2-phenylbenzene);propane

ethane;bis(1-ethyl-2-phenylbenzene);propane (PubChem CID 145452261) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is ethane;bis(1-ethyl-2-phenylbenzene);propane.

Molecular Properties

Compound Nameethane;bis(1-ethyl-2-phenylbenzene);propane
PubChem CID145452261
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Nameethane;bis(1-ethyl-2-phenylbenzene);propane
SMILESCC.CCC.CCc1ccccc1-c1ccccc1.CCc1ccccc1-c1ccccc1
InChIInChI=1S/2C14H14.C3H8.C2H6/c2*1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-3-2;1-2/h2*3-11H,2H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIAFKWRXMOVVQGE-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-ethyl-2-phenylbenzene);propane?
The IUPAC name of ethane;bis(1-ethyl-2-phenylbenzene);propane (CID 145452261) is ethane;bis(1-ethyl-2-phenylbenzene);propane.
What is the SMILES notation for ethane;bis(1-ethyl-2-phenylbenzene);propane?
The canonical SMILES for ethane;bis(1-ethyl-2-phenylbenzene);propane is CC.CCC.CCc1ccccc1-c1ccccc1.CCc1ccccc1-c1ccccc1.
What is the InChIKey of ethane;bis(1-ethyl-2-phenylbenzene);propane?
The InChIKey is IAFKWRXMOVVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14.C3H8.C2H6/c2*1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-3-2;1-2/h2*3-11H,2H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;bis(1-ethyl-2-phenylbenzene);propane?
ethane;bis(1-ethyl-2-phenylbenzene);propane has a molecular weight of 438.70 g/mol, XLogP of 10.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-ethyl-2-phenylbenzene);propane is sourced from PubChem (CID 145452261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).