tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)

C180H198O14S3 — CID 157174733

IUPACtetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
SMILESCc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/4C17H18O.3C16H18O2S.4C16H18O/c4*1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;3*1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;4*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h4*5-10H,1-4H3;3*5-10H,1-4H3;4*5-10H,1-4H3
InChIKeyANWKPMHWNVPXCN-UHFFFAOYSA-N
MW2681.75 g/mol
LogP46.71
Rot. Bonds22

About tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)

tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene) (PubChem CID 157174733) has the molecular formula C180H198O14S3 and a molecular weight of 2681.75 g/mol. Its IUPAC name is tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene).

Molecular Properties

Compound Nametetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
PubChem CID157174733
Molecular FormulaC180H198O14S3
Molecular Weight2681.75 g/mol
Exact Mass2679.39
IUPAC Nametetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
SMILESCc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/4C17H18O.3C16H18O2S.4C16H18O/c4*1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;3*1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;4*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h4*5-10H,1-4H3;3*5-10H,1-4H3;4*5-10H,1-4H3
InChIKeyANWKPMHWNVPXCN-UHFFFAOYSA-N
XLogP46.71
TPSA207.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.75
LogP ≤ 546.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159397283
bis(3,4-dimethylphenyl)methanone;bis(1,2-dimethylbenzene-5-ide);4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;yttrium
CID 160863172
(3,4-dimethylphenyl)-[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-3-methylphenyl]methanone;[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;ethane;methane
CID 159868198
[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;ethane
CID 90983097
[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 59132534
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
[4-[4-[4-[4-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
CID 118474115
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
4-(4-but-2-en-2-yloxyphenyl)sulfonyl-1,2-dimethylbenzene
CID 123774029

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)?
The IUPAC name of tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene) (CID 157174733) is tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene).
What is the SMILES notation for tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)?
The canonical SMILES for tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene) is Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)?
The InChIKey is ANWKPMHWNVPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H18O.3C16H18O2S.4C16H18O/c4*1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;3*1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;4*1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h4*5-10H,1-4H3;3*5-10H,1-4H3;4*5-10H,1-4H3.
What are the key properties of tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)?
tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene) has a molecular weight of 2681.75 g/mol, XLogP of 46.71, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene) is sourced from PubChem (CID 157174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).