benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

C175H246F6O9S2 — CID 158257649

IUPACbenzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccccc1
InChIInChI=1S/C18H20.C17H18.C15H13F3O2.C15H13F3.C15H16.C13H10O.C12H10O4S.C12H10O2S.C12H10.C6H6.20C2H6/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;1-14(15(16,17)18,10-2-6-12(19)7-3-10)11-4-8-13(20)9-5-11;1-14(15(16,17)18,12-8-4-2-5-9-12)13-10-6-3-7-11-13;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;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-15(14,11-7-3-1-4-8-11)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;20*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;2-9,19-20H,1H3;2-11H,1H3;3-12H,1-2H3;1-10H;1-8,13-14H;1-10H;1-10H;1-6H;20*1-2H3
InChIKeyGHMCHVBKWXNMBI-UHFFFAOYSA-N
MW2672.01 g/mol
LogP54.95
Rot. Bonds17

About benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene (PubChem CID 158257649) has the molecular formula C175H246F6O9S2 and a molecular weight of 2672.01 g/mol. Its IUPAC name is benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Namebenzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
PubChem CID158257649
Molecular FormulaC175H246F6O9S2
Molecular Weight2672.01 g/mol
Exact Mass2669.81
IUPAC Namebenzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccccc1
InChIInChI=1S/C18H20.C17H18.C15H13F3O2.C15H13F3.C15H16.C13H10O.C12H10O4S.C12H10O2S.C12H10.C6H6.20C2H6/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;1-14(15(16,17)18,10-2-6-12(19)7-3-10)11-4-8-13(20)9-5-11;1-14(15(16,17)18,12-8-4-2-5-9-12)13-10-6-3-7-11-13;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;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-15(14,11-7-3-1-4-8-11)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;20*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;2-9,19-20H,1H3;2-11H,1H3;3-12H,1-2H3;1-10H;1-8,13-14H;1-10H;1-10H;1-6H;20*1-2H3
InChIKeyGHMCHVBKWXNMBI-UHFFFAOYSA-N
XLogP54.95
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002672.01
LogP ≤ 554.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene with MolForge

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Related Compounds

Disodium;3-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-3-(3-oxidoperoxysulfanylbenzoyl)phenyl]sulfonylbenzoyl]benzenesulfonate
CID 58711250
3-[2-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]sulfonylbenzoyl]benzenesulfonic acid
CID 58711251
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 59165225
[4-[4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946
4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(4-sulfophenyl)methyl]benzenesulfonic acid
CID 59648950
[4-[4-[9-[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648951
[4-[4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 59648952
Bis(4-acetylphenyl)-[9,9-bis(4-hydroxyphenyl)fluoren-2-yl]sulfanium;trifluoromethanesulfonic acid
CID 87320674
(4-Methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 88564613
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 91161784
[4-[4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;sulfuric acid
CID 91558427
CID 139733489
CID 139733489

Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The IUPAC name of benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene (CID 158257649) is benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene.
What is the SMILES notation for benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The canonical SMILES for benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.O=C(c1ccccc1)c1ccccc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCC2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The InChIKey is GHMCHVBKWXNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C17H18.C15H13F3O2.C15H13F3.C15H16.C13H10O.C12H10O4S.C12H10O2S.C12H10.C6H6.20C2H6/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;1-14(15(16,17)18,10-2-6-12(19)7-3-10)11-4-8-13(20)9-5-11;1-14(15(16,17)18,12-8-4-2-5-9-12)13-10-6-3-7-11-13;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;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-15(14,11-7-3-1-4-8-11)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;20*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;1-6,9-12H,7-8,13-14H2;2-9,19-20H,1H3;2-11H,1H3;3-12H,1-2H3;1-10H;1-8,13-14H;1-10H;1-10H;1-6H;20*1-2H3.
What are the key properties of benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene has a molecular weight of 2672.01 g/mol, XLogP of 54.95, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 158257649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).