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

C187H306F6O4S2 — CID 157096595

IUPACbenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;phenylsulfanylbenzene
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.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C20H12.C15H10F6.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.36C2H6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;36*1-2/h1-12H;1-10H;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;36*1-2H3
InChIKeyAFGZBINULJKJHY-UHFFFAOYSA-N
MW2796.62 g/mol
LogP68.85
Rot. Bonds13

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

benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;phenylsulfanylbenzene (PubChem CID 157096595) has the molecular formula C187H306F6O4S2 and a molecular weight of 2796.62 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;perylene;phenoxybenzene;phenylsulfanylbenzene.

Molecular Properties

Compound Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;phenylsulfanylbenzene
PubChem CID157096595
Molecular FormulaC187H306F6O4S2
Molecular Weight2796.62 g/mol
Exact Mass2794.31
IUPAC Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;phenylsulfanylbenzene
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.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C20H12.C15H10F6.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.36C2H6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;36*1-2/h1-12H;1-10H;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;36*1-2H3
InChIKeyAFGZBINULJKJHY-UHFFFAOYSA-N
XLogP68.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002796.62
LogP ≤ 568.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

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Related Compounds

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CID 163297716
3,5-Bis(trifluoromethyl)benzenesulfonate;(9-oxoxanthen-2-yl)-diphenylsulfanium
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1-(4-Tert-butylphenyl)sulfanyl-5-[3-(trifluoromethoxy)phenyl]sulfanylanthracene-9,10-dione
CID 54238587
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)phenyl]sulfonylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658211
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[3-[1,1,1,3,3,3-hexafluoro-2-[3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-4-methylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658216
[4-(4-Methylphenyl)phenyl]-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]methanone
CID 58690157
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-(4-sulfanylbenzoyl)phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58693255
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[4-(oxan-2-ylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58693258
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
CID 58693268
CID 58693268

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;perylene;phenoxybenzene;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;perylene;phenoxybenzene;phenylsulfanylbenzene (CID 157096595) is benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;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;perylene;phenoxybenzene;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;perylene;phenoxybenzene;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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccccc1)c1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccc2)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;perylene;phenoxybenzene;phenylsulfanylbenzene?
The InChIKey is AFGZBINULJKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C15H10F6.C13H10O.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6.36C2H6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;36*1-2/h1-12H;1-10H;1-10H;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H;36*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;perylene;phenoxybenzene;phenylsulfanylbenzene?
benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;perylene;phenoxybenzene;phenylsulfanylbenzene has a molecular weight of 2796.62 g/mol, XLogP of 68.85, 13 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;perylene;phenoxybenzene;phenylsulfanylbenzene is sourced from PubChem (CID 157096595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).