benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

C184H169F3O5S2 — CID 158011481

IUPACbenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
SMILESCC(C)(c1ccccc1)c1ccc(C(C)(C)c2ccccc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C27H22.C24H26.C18H14O2.C18H20.C15H13F3.C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-23(2,19-11-7-5-8-12-19)21-15-17-22(18-16-21)24(3,4)20-13-9-6-10-14-20;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;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;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/h3-18H,1-2H3;5-18H,1-4H3;1-14H;1-2,4-7,10-13H,3,8-9,14-15H2;2-11H,1H3;3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H
InChIKeyFEXZHCXAUNFVIX-UHFFFAOYSA-N
MW2581.50 g/mol
LogP49.93
Rot. Bonds25

About benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene (PubChem CID 158011481) has the molecular formula C184H169F3O5S2 and a molecular weight of 2581.50 g/mol. Its IUPAC name is benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
PubChem CID158011481
Molecular FormulaC184H169F3O5S2
Molecular Weight2581.50 g/mol
Exact Mass2579.24
IUPAC Namebenzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
SMILESCC(C)(c1ccccc1)c1ccc(C(C)(C)c2ccccc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C27H22.C24H26.C18H14O2.C18H20.C15H13F3.C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-23(2,19-11-7-5-8-12-19)21-15-17-22(18-16-21)24(3,4)20-13-9-6-10-14-20;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;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;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/h3-18H,1-2H3;5-18H,1-4H3;1-14H;1-2,4-7,10-13H,3,8-9,14-15H2;2-11H,1H3;3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H
InChIKeyFEXZHCXAUNFVIX-UHFFFAOYSA-N
XLogP49.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.50
LogP ≤ 549.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene 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
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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-[5-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]octane-1-sulfonic acid
CID 58983599
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-[5-[4-[4-[4-(4-methoxyphenoxy)phenoxy]phenoxy]phenyl]sulfonyl-2-methylphenyl]hexane-1-sulfonic acid
CID 58983620
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]-4-propylbenzene
CID 59873951
1-Methyl-4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 68030585

Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The IUPAC name of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene (CID 158011481) is benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene.
What is the SMILES notation for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The canonical SMILES for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene is CC(C)(c1ccccc1)c1ccc(C(C)(C)c2ccccc2)cc1.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)C(F)(F)F.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.O=S(=O)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Sc2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
The InChIKey is FEXZHCXAUNFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C24H26.C18H14O2.C18H20.C15H13F3.C15H16.C13H12.C12H10O2S.C12H10O.C12H10S.C12H10.C6H6/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-23(2,19-11-7-5-8-12-19)21-15-17-22(18-16-21)24(3,4)20-13-9-6-10-14-20;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;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;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/h3-18H,1-2H3;5-18H,1-4H3;1-14H;1-2,4-7,10-13H,3,8-9,14-15H2;2-11H,1H3;3-12H,1-2H3;1-10H,11H2;1-10H;2*1-10H;1-10H;1-6H.
What are the key properties of benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene?
benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene has a molecular weight of 2581.50 g/mol, XLogP of 49.93, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonylbenzene;benzylbenzene;1,1'-biphenyl;9,9-bis(4-methylphenyl)fluorene;1,4-bis(2-phenylpropan-2-yl)benzene;1,4-diphenoxybenzene;phenoxybenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 158011481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).