benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)

C314H520O26 — CID 157064621

IUPACbenzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C13H10O.14C6H6.6C3H6O.4C3H8.12C2H6O.36C2H6/c8*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;14*1-2-4-6-5-3-1;6*1-3(2)4;16*1-3-2;36*1-2/h8*1-10H;14*1-6H;6*1-2H3;4*3H2,1-2H3;12*1-2H3;36*1-2H3
InChIKeyABSPOODXCAAYPK-UHFFFAOYSA-N
MW4711.59 g/mol
LogP96.28
Rot. Bonds16

About benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)

benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one) (PubChem CID 157064621) has the molecular formula C314H520O26 and a molecular weight of 4711.59 g/mol. Its IUPAC name is benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one).

Molecular Properties

Compound Namebenzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
PubChem CID157064621
Molecular FormulaC314H520O26
Molecular Weight4711.59 g/mol
Exact Mass4707.94
IUPAC Namebenzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/8C13H10O.14C6H6.6C3H6O.4C3H8.12C2H6O.36C2H6/c8*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;14*1-2-4-6-5-3-1;6*1-3(2)4;16*1-3-2;36*1-2/h8*1-10H;14*1-6H;6*1-2H3;4*3H2,1-2H3;12*1-2H3;36*1-2H3
InChIKeyABSPOODXCAAYPK-UHFFFAOYSA-N
XLogP96.28
TPSA349.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004711.59
LogP ≤ 596.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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Frequently Asked Questions

What is the IUPAC name of benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)?
The IUPAC name of benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one) (CID 157064621) is benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one).
What is the SMILES notation for benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)?
The canonical SMILES for benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CCC.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)?
The InChIKey is ABSPOODXCAAYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/8C13H10O.14C6H6.6C3H6O.4C3H8.12C2H6O.36C2H6/c8*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;14*1-2-4-6-5-3-1;6*1-3(2)4;16*1-3-2;36*1-2/h8*1-10H;14*1-6H;6*1-2H3;4*3H2,1-2H3;12*1-2H3;36*1-2H3.
What are the key properties of benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)?
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one) has a molecular weight of 4711.59 g/mol, XLogP of 96.28, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one) is sourced from PubChem (CID 157064621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).