benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene

C225H354O6S — CID 159049412

IUPACbenzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene
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(C)(C)C.CC(C)(C)C.CC(C)=O.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC(C)(C)C.COC.CS(C)(=O)=O.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C20H14O2.C18H20.19C6H6.C6H14.2C5H12.C3H6O.C2H6O2S.C2H6O.25C2H6/c21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;19*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;25*1-2/h1-14H;4-12H,13H2,1-3H3;19*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;1-2H3;1-2H3;25*1-2H3
InChIKeyJXBPSPUTKKVNNS-UHFFFAOYSA-N
MW3187.37 g/mol
LogP73.59
Rot. Bonds3

About benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene

benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene (PubChem CID 159049412) has the molecular formula C225H354O6S and a molecular weight of 3187.37 g/mol. Its IUPAC name is benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene.

Molecular Properties

Compound Namebenzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene
PubChem CID159049412
Molecular FormulaC225H354O6S
Molecular Weight3187.37 g/mol
Exact Mass3184.71
IUPAC Namebenzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene
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(C)(C)C.CC(C)(C)C.CC(C)=O.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC(C)(C)C.COC.CS(C)(=O)=O.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C20H14O2.C18H20.19C6H6.C6H14.2C5H12.C3H6O.C2H6O2S.C2H6O.25C2H6/c21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;19*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;25*1-2/h1-14H;4-12H,13H2,1-3H3;19*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;1-2H3;1-2H3;25*1-2H3
InChIKeyJXBPSPUTKKVNNS-UHFFFAOYSA-N
XLogP73.59
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms232
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003187.37
LogP ≤ 573.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene?
The IUPAC name of benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene (CID 159049412) is benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene.
What is the SMILES notation for benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene?
The canonical SMILES for benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene 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(C)(C)C.CC(C)(C)C.CC(C)=O.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC(C)(C)C.COC.CS(C)(=O)=O.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene?
The InChIKey is JXBPSPUTKKVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C18H20.19C6H6.C6H14.2C5H12.C3H6O.C2H6O2S.C2H6O.25C2H6/c21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;19*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;25*1-2/h1-14H;4-12H,13H2,1-3H3;19*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;1-2H3;1-2H3;25*1-2H3.
What are the key properties of benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene?
benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene has a molecular weight of 3187.37 g/mol, XLogP of 73.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene is sourced from PubChem (CID 159049412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).