benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane

C178H288F6O4S3 — CID 157080108

IUPACbenzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.c1ccc2c(c1)Cc1ccccc1-2.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H10.17C6H6.C5H6F6.C5H12.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.21C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;17*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;21*1-2/h1-8H,9H2;17*1-6H;1-2H3;1-4H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;21*1-2H3
InChIKeyADLALGPGMNSNKI-UHFFFAOYSA-N
MW2702.45 g/mol
LogP60.98
Rot. Bonds

About benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane

benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane (PubChem CID 157080108) has the molecular formula C178H288F6O4S3 and a molecular weight of 2702.45 g/mol. Its IUPAC name is benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane.

Molecular Properties

Compound Namebenzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane
PubChem CID157080108
Molecular FormulaC178H288F6O4S3
Molecular Weight2702.45 g/mol
Exact Mass2700.14
IUPAC Namebenzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.c1ccc2c(c1)Cc1ccccc1-2.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C13H10.17C6H6.C5H6F6.C5H12.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.21C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;17*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;21*1-2/h1-8H,9H2;17*1-6H;1-2H3;1-4H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;21*1-2H3
InChIKeyADLALGPGMNSNKI-UHFFFAOYSA-N
XLogP60.98
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002702.45
LogP ≤ 560.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane?
The IUPAC name of benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane (CID 157080108) is benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane.
What is the SMILES notation for benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane?
The canonical SMILES for benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.c1ccc2c(c1)Cc1ccccc1-2.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-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane?
The InChIKey is ADLALGPGMNSNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.17C6H6.C5H6F6.C5H12.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.21C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;17*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;21*1-2/h1-8H,9H2;17*1-6H;1-2H3;1-4H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;21*1-2H3.
What are the key properties of benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane?
benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane has a molecular weight of 2702.45 g/mol, XLogP of 60.98, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,2-dimethylpropane;ethane;9H-fluorene;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane is sourced from PubChem (CID 157080108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).