anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane

C384H518F12O16S2 — CID 158114628

IUPACanisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane
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(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CCC.COC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1cc(C)cc(Cc2cc(C)cc(C)c2)c1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C17H20.2C15H10F6.2C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.2C12H10.2C10H14.12C7H8O.6C6H6.C3H8.C2H6O.32C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-12-5-13(2)8-16(7-12)11-17-9-14(3)6-15(4)10-17;2*16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-10(2,3)9-7-5-4-6-8-9;12*1-8-7-5-3-2-4-6-7;6*1-2-4-6-5-3-1;2*1-3-2;32*1-2/h1-18H;5-10H,11H2,1-4H3;2*1-10H;2*3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;2*1-10H;2*4-8H,1-3H3;12*2-6H,1H3;6*1-6H;3H2,1-2H3;1-2H3;32*1-2H3
InChIKeyFQVSDKKPXMLCJE-UHFFFAOYSA-N
MW5682.46 g/mol
LogP119.55
Rot. Bonds34

About anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane

anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane (PubChem CID 158114628) has the molecular formula C384H518F12O16S2 and a molecular weight of 5682.46 g/mol. Its IUPAC name is anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane.

Molecular Properties

Compound Nameanisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane
PubChem CID158114628
Molecular FormulaC384H518F12O16S2
Molecular Weight5682.46 g/mol
Exact Mass5677.90
IUPAC Nameanisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane
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(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CCC.COC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1cc(C)cc(Cc2cc(C)cc(C)c2)c1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C17H20.2C15H10F6.2C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.2C12H10.2C10H14.12C7H8O.6C6H6.C3H8.C2H6O.32C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-12-5-13(2)8-16(7-12)11-17-9-14(3)6-15(4)10-17;2*16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-10(2,3)9-7-5-4-6-8-9;12*1-8-7-5-3-2-4-6-7;6*1-2-4-6-5-3-1;2*1-3-2;32*1-2/h1-18H;5-10H,11H2,1-4H3;2*1-10H;2*3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;2*1-10H;2*4-8H,1-3H3;12*2-6H,1H3;6*1-6H;3H2,1-2H3;1-2H3;32*1-2H3
InChIKeyFQVSDKKPXMLCJE-UHFFFAOYSA-N
XLogP119.55
TPSA163.36 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms414
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005682.46
LogP ≤ 5119.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane with MolForge

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Related Compounds

[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
9-(4-Methoxyphenyl)-9-[4-[4-[4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 57595073
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
9-[4-[2-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenyl]propan-2-yloxy]phenyl]-9-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]fluorene
CID 57887371
9,9-Bis[4-[4-(4-fluorophenyl)sulfonylphenoxy]phenyl]fluorene
CID 57887374
1-[4-[4-[2-[4-[4-(4-Benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57903589
1-[4-[4-[2-[4-[4-(4-Ethylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57925324
4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
CID 58291356
5-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-1,2,3-trimethylbenzene
CID 58298755

Frequently Asked Questions

What is the IUPAC name of anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane?
The IUPAC name of anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane (CID 158114628) is anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane.
What is the SMILES notation for anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane?
The canonical SMILES for anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane 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(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CC(C)(c1ccccc1)c1ccccc1.CCC.COC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1cc(C)cc(Cc2cc(C)cc(C)c2)c1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane?
The InChIKey is FQVSDKKPXMLCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C17H20.2C15H10F6.2C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.2C12H10.2C10H14.12C7H8O.6C6H6.C3H8.C2H6O.32C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-12-5-13(2)8-16(7-12)11-17-9-14(3)6-15(4)10-17;2*16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-10(2,3)9-7-5-4-6-8-9;12*1-8-7-5-3-2-4-6-7;6*1-2-4-6-5-3-1;2*1-3-2;32*1-2/h1-18H;5-10H,11H2,1-4H3;2*1-10H;2*3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;2*1-10H;2*4-8H,1-3H3;12*2-6H,1H3;6*1-6H;3H2,1-2H3;1-2H3;32*1-2H3.
What are the key properties of anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane?
anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane has a molecular weight of 5682.46 g/mol, XLogP of 119.55, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzene;benzenesulfonylbenzene;benzylbenzene;bis(1,1'-biphenyl);bis(tert-butylbenzene);1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;9,9-diphenylfluorene;ethane;bis((1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene);methoxymethane;phenoxybenzene;bis(2-phenylpropan-2-ylbenzene);phenylsulfanylbenzene;propane is sourced from PubChem (CID 158114628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).