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

C243H448F6O5S — CID 159149292

IUPACbenzenesulfonylbenzene;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
SMILESC1=CC2CCC1CC2.C1CC2CCC1CC2.C1CCC(C2CCCCC2)CC1.C1CCCCC1.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.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.OC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16O.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H22.C12H10.C8H14.C8H12.C6H12.49C2H6/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;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*1-2-8-5-3-7(1)4-6-8;1-2-4-6-5-3-1;49*1-2/h1-15,20H;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;1-10H;11-12H,1-10H2;1-10H;7-8H,1-6H2;1-2,7-8H,3-6H2;1-6H2;49*1-2H3
InChIKeyKJBOTLNTFPJWRN-UHFFFAOYSA-N
MW3596.31 g/mol
LogP90.35
Rot. Bonds17

About 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

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 (PubChem CID 159149292) has the molecular formula C243H448F6O5S and a molecular weight of 3596.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzenesulfonylbenzene;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
PubChem CID159149292
Molecular FormulaC243H448F6O5S
Molecular Weight3596.31 g/mol
Exact Mass3593.44
IUPAC Namebenzenesulfonylbenzene;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
SMILESC1=CC2CCC1CC2.C1CC2CCC1CC2.C1CCC(C2CCCCC2)CC1.C1CCCCC1.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.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.OC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16O.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H22.C12H10.C8H14.C8H12.C6H12.49C2H6/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;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*1-2-8-5-3-7(1)4-6-8;1-2-4-6-5-3-1;49*1-2/h1-15,20H;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;1-10H;11-12H,1-10H2;1-10H;7-8H,1-6H2;1-2,7-8H,3-6H2;1-6H2;49*1-2H3
InChIKeyKJBOTLNTFPJWRN-UHFFFAOYSA-N
XLogP90.35
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms255
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003596.31
LogP ≤ 590.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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-[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
[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(3-methylphenyl)methanone;9-[bis(3-methylphenyl)methyl]-9H-fluorene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-[2-(3-methylphenyl)propan-2-yl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene
CID 157484379
[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
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
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;ethane;methanesulfonic acid
CID 90840479

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2CCC1CC2.C1CC2CCC1CC2.C1CCC(C2CCCCC2)CC1.C1CCCCC1.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.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.OC(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is KJBOTLNTFPJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O.C15H10F6.C15H16.C13H10O.C13H12.C12H10O2S.C12H10O.C12H22.C12H10.C8H14.C8H12.C6H12.49C2H6/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;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*1-2-8-5-3-7(1)4-6-8;1-2-4-6-5-3-1;49*1-2/h1-15,20H;1-10H;3-12H,1-2H3;1-10H;1-10H,11H2;1-10H;1-10H;11-12H,1-10H2;1-10H;7-8H,1-6H2;1-2,7-8H,3-6H2;1-6H2;49*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3596.31 g/mol, XLogP of 90.35, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).