benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)

C135H220O12 — CID 160674424

IUPACbenzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C13H10O.5C6H6.3C3H6O.5C2H6O.17C2H6/c4*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-2-4-6-5-3-1;3*1-3(2)4;5*1-3-2;17*1-2/h4*1-10H;5*1-6H;3*1-2H3;5*1-2H3;17*1-2H3
InChIKeyRNIVCCWNEHRTQG-UHFFFAOYSA-N
MW2035.23 g/mol
LogP40.65
Rot. Bonds8

About benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)

benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one) (PubChem CID 160674424) has the molecular formula C135H220O12 and a molecular weight of 2035.23 g/mol. Its IUPAC name is benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one).

Molecular Properties

Compound Namebenzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
PubChem CID160674424
Molecular FormulaC135H220O12
Molecular Weight2035.23 g/mol
Exact Mass2033.66
IUPAC Namebenzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/4C13H10O.5C6H6.3C3H6O.5C2H6O.17C2H6/c4*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-2-4-6-5-3-1;3*1-3(2)4;5*1-3-2;17*1-2/h4*1-10H;5*1-6H;3*1-2H3;5*1-2H3;17*1-2H3
InChIKeyRNIVCCWNEHRTQG-UHFFFAOYSA-N
XLogP40.65
TPSA165.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002035.23
LogP ≤ 540.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)?
The IUPAC name of benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one) (CID 160674424) is benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one).
What is the SMILES notation for benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)?
The canonical SMILES for benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)?
The InChIKey is RNIVCCWNEHRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H10O.5C6H6.3C3H6O.5C2H6O.17C2H6/c4*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;5*1-2-4-6-5-3-1;3*1-3(2)4;5*1-3-2;17*1-2/h4*1-10H;5*1-6H;3*1-2H3;5*1-2H3;17*1-2H3.
What are the key properties of benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)?
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one) has a molecular weight of 2035.23 g/mol, XLogP of 40.65, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one) is sourced from PubChem (CID 160674424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).