benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene

C149H185F3O4S2 — CID 158598339

IUPACbenzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene
SMILESCC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.Cc1cc2c(cc1C)C(C)(C(F)(F)F)c1cc(C)c(C)cc1O2.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1C2.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Sc2ccc(C)c(C)c2)cc1C.O=C(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C19H19F3O.C18H24S.C17H18O.C17H20.C16H18O.C16H18S.C15H16.C13H10O.C6H6.6C2H6/c1-10-6-14-16(8-12(10)3)23-17-9-13(4)11(2)7-15(17)18(14,5)19(20,21)22;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-10-5-14-9-15-6-11(2)13(4)8-17(15)18-16(14)7-12(10)3;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;2*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;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;1-2-4-6-5-3-1;6*1-2/h6-9H,1-5H3;7-12H,1-6H3;5-8H,9H2,1-4H3;5-10H,11H2,1-4H3;2*5-10H,1-4H3;3-12H,1-2H3;1-10H;1-6H;6*1-2H3
InChIKeyHVHREDQCTLGXDH-UHFFFAOYSA-N
MW2161.24 g/mol
LogP44.98
Rot. Bonds12

About benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene

benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene (PubChem CID 158598339) has the molecular formula C149H185F3O4S2 and a molecular weight of 2161.24 g/mol. Its IUPAC name is benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene.

Molecular Properties

Compound Namebenzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene
PubChem CID158598339
Molecular FormulaC149H185F3O4S2
Molecular Weight2161.24 g/mol
Exact Mass2159.37
IUPAC Namebenzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene
SMILESCC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.Cc1cc2c(cc1C)C(C)(C(F)(F)F)c1cc(C)c(C)cc1O2.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1C2.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Sc2ccc(C)c(C)c2)cc1C.O=C(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C19H19F3O.C18H24S.C17H18O.C17H20.C16H18O.C16H18S.C15H16.C13H10O.C6H6.6C2H6/c1-10-6-14-16(8-12(10)3)23-17-9-13(4)11(2)7-15(17)18(14,5)19(20,21)22;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-10-5-14-9-15-6-11(2)13(4)8-17(15)18-16(14)7-12(10)3;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;2*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;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;1-2-4-6-5-3-1;6*1-2/h6-9H,1-5H3;7-12H,1-6H3;5-8H,9H2,1-4H3;5-10H,11H2,1-4H3;2*5-10H,1-4H3;3-12H,1-2H3;1-10H;1-6H;6*1-2H3
InChIKeyHVHREDQCTLGXDH-UHFFFAOYSA-N
XLogP44.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.24
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene with MolForge

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Related Compounds

1-(4-Fluorophenyl)-4-(4-methoxyphenyl)thioxanthen-9-one
CID 101570370
3-Ethoxy-7-methoxy-1-(3-methylphenyl)sulfanyl-5-[3-(trifluoromethyl)phenyl]sulfanylanthracene-9,10-dione
CID 53803382
4-(4-Tert-butylphenyl)sulfanyl-2-[3,5-difluoro-4-[[4-[2-(4-pentylphenyl)ethyl]cyclohexyl]methoxy]phenyl]-1-hydroxyanthracene-9,10-dione
CID 57654707
[2,6-Difluoro-4-[4-[5-(4-hexylphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylphenyl]phenyl] butanoate
CID 57654725
Bis[2,4-ditert-butyl-6-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl(phenyl)methyl]phenyl] benzene-1,4-dicarboxylate
CID 58027781
[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-[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
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
[4-[3-[3-(3,3-Dimethylbutyl)-4-[4-(2,2-dimethylpropyl-dihydroxy-oxo-lambda6-sulfanyl)phenoxy]benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769523

Frequently Asked Questions

What is the IUPAC name of benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene?
The IUPAC name of benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene (CID 158598339) is benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene.
What is the SMILES notation for benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene?
The canonical SMILES for benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene is CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.Cc1cc2c(cc1C)C(C)(C(F)(F)F)c1cc(C)c(C)cc1O2.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1C2.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Sc2ccc(C)c(C)c2)cc1C.O=C(c1ccccc1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene?
The InChIKey is HVHREDQCTLGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O.C18H24S.C17H18O.C17H20.C16H18O.C16H18S.C15H16.C13H10O.C6H6.6C2H6/c1-10-6-14-16(8-12(10)3)23-17-9-13(4)11(2)7-15(17)18(14,5)19(20,21)22;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-10-5-14-9-15-6-11(2)13(4)8-17(15)18-16(14)7-12(10)3;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;2*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;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;1-2-4-6-5-3-1;6*1-2/h6-9H,1-5H3;7-12H,1-6H3;5-8H,9H2,1-4H3;5-10H,11H2,1-4H3;2*5-10H,1-4H3;3-12H,1-2H3;1-10H;1-6H;6*1-2H3.
What are the key properties of benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene?
benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene has a molecular weight of 2161.24 g/mol, XLogP of 44.98, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(3,4-dimethylphenyl)-dimethyl-λ4-sulfane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;diphenylmethanone;ethane;2,3,6,7,9-pentamethyl-9-(trifluoromethyl)xanthene;2-phenylpropan-2-ylbenzene;2,3,6,7-tetramethyl-9H-xanthene is sourced from PubChem (CID 158598339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).