benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene

C189H264F6O4S2 — CID 162210894

IUPACbenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C18H20.C17H18.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.22C2H6/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;22*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;22*1-2H3
InChIKeyZSVFRUNBRIITMP-UHFFFAOYSA-N
MW2778.31 g/mol
LogP62.24
Rot. Bonds19

About benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene

benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene (PubChem CID 162210894) has the molecular formula C189H264F6O4S2 and a molecular weight of 2778.31 g/mol. Its IUPAC name is benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene.

Molecular Properties

Compound Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene
PubChem CID162210894
Molecular FormulaC189H264F6O4S2
Molecular Weight2778.31 g/mol
Exact Mass2775.98
IUPAC Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C18H20.C17H18.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.22C2H6/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;22*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;22*1-2H3
InChIKeyZSVFRUNBRIITMP-UHFFFAOYSA-N
XLogP62.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002778.31
LogP ≤ 562.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene with MolForge

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Related Compounds

benzenesulfonylbenzene;benzylbenzene;bicyclo[2.2.2]octane;bicyclo[2.2.2]oct-2-ene;1,1'-biphenyl;cyclohexane;cyclohexylcyclohexane;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;2-phenylpropan-2-ylbenzene;triphenylmethanol
CID 159149292
9,9-bis(4-methylphenyl)fluorene;bis(4-methylphenyl)methanone;2,6-dimethylnaphthalene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,4-xylene
CID 158075946
1-(benzenesulfonyl)-4-methylbenzene;1-benzyl-4-methylbenzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene;1-methylnaphthalene;1-methyl-4-phenylbenzene;(4-methylphenyl)-phenylmethanone;1-methyl-4-phenylsulfanylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;toluene;1,2,3-trimethyl-5-[2-(3,4,5-trimethylphenyl)propan-2-yl]benzene
CID 160730726
1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 90830034
1,1'-biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 158595488
1,3-diphenoxy-5-phenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
CID 158505894
benzene;benzylbenzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;propan-2-one
CID 159226551
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157198968
5-[(3-carboxy-4-methylphenyl)methyl]-2-methylbenzoic acid;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,3-xylene;1,4-xylene
CID 162131961
bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 159488601
benzenesulfonylbenzene;1-(benzenesulfonyl)-4-[4-(benzenesulfonyl)phenyl]benzene;(2-benzoylphenyl)-phenylmethanone;[4-(4-benzoylphenyl)phenyl]-phenylmethanone;benzylbenzene;1,1'-biphenyl;1,2-bis(benzenesulfonyl)benzene;diphenylmethanone
CID 160969296

Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene?
The IUPAC name of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene (CID 162210894) is benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene.
What is the SMILES notation for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene?
The canonical SMILES for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene?
The InChIKey is ZSVFRUNBRIITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C17H18.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.22C2H6/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;22*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;22*1-2H3.
What are the key properties of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene?
benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene has a molecular weight of 2778.31 g/mol, XLogP of 62.24, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene is sourced from PubChem (CID 162210894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).