benzene;tris(cyclohexane);ethane;methane;propane

C78H178 — CID 160511909

IUPACbenzene;tris(cyclohexane);ethane;methane;propane
SMILESC.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H12.3C6H6.6C3H8.10C2H6.4CH4/c6*1-2-4-6-5-3-1;6*1-3-2;10*1-2;;;;/h3*1-6H2;3*1-6H;6*3H2,1-2H3;10*1-2H3;4*1H4
InChIKeyQTDQIANAEUIOEY-UHFFFAOYSA-N
MW1116.28 g/mol
LogP33.39
Rot. Bonds

About benzene;tris(cyclohexane);ethane;methane;propane

benzene;tris(cyclohexane);ethane;methane;propane (PubChem CID 160511909) has the molecular formula C78H178 and a molecular weight of 1116.28 g/mol. Its IUPAC name is benzene;tris(cyclohexane);ethane;methane;propane.

Molecular Properties

Compound Namebenzene;tris(cyclohexane);ethane;methane;propane
PubChem CID160511909
Molecular FormulaC78H178
Molecular Weight1116.28 g/mol
Exact Mass1115.39
IUPAC Namebenzene;tris(cyclohexane);ethane;methane;propane
SMILESC.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H12.3C6H6.6C3H8.10C2H6.4CH4/c6*1-2-4-6-5-3-1;6*1-3-2;10*1-2;;;;/h3*1-6H2;3*1-6H;6*3H2,1-2H3;10*1-2H3;4*1H4
InChIKeyQTDQIANAEUIOEY-UHFFFAOYSA-N
XLogP33.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.28
LogP ≤ 533.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Triphenylantimony
CID 11777
Triphenylbismuth
CID 11774
Sodium Tetraphenylborate
CID 2723787
Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Tetraphenyltin
CID 61146
Tetraphenyllead
CID 72906
Stryker's reagent
CID 11982471
Fentin
CID 91481
Hexaphenylditin
CID 6327129
Hexaphenyldilead
CID 6327846
Bis(triphenylphosphine)nickel(II) chloride
CID 171039968

Frequently Asked Questions

What is the IUPAC name of benzene;tris(cyclohexane);ethane;methane;propane?
The IUPAC name of benzene;tris(cyclohexane);ethane;methane;propane (CID 160511909) is benzene;tris(cyclohexane);ethane;methane;propane.
What is the SMILES notation for benzene;tris(cyclohexane);ethane;methane;propane?
The canonical SMILES for benzene;tris(cyclohexane);ethane;methane;propane is C.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tris(cyclohexane);ethane;methane;propane?
The InChIKey is QTDQIANAEUIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12.3C6H6.6C3H8.10C2H6.4CH4/c6*1-2-4-6-5-3-1;6*1-3-2;10*1-2;;;;/h3*1-6H2;3*1-6H;6*3H2,1-2H3;10*1-2H3;4*1H4.
What are the key properties of benzene;tris(cyclohexane);ethane;methane;propane?
benzene;tris(cyclohexane);ethane;methane;propane has a molecular weight of 1116.28 g/mol, XLogP of 33.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(cyclohexane);ethane;methane;propane is sourced from PubChem (CID 160511909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).