methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)

C57H60O2S2 — CID 157430055

IUPACmethane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
SMILESC.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/2C14H14O.2C14H14S.CH4/c4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;/h4*3-10H,1-2H3;1H4
InChIKeyBQKOFWKSRMITEF-UHFFFAOYSA-N
MW841.24 g/mol
LogP17.74
Rot. Bonds8

About methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)

methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) (PubChem CID 157430055) has the molecular formula C57H60O2S2 and a molecular weight of 841.24 g/mol. Its IUPAC name is methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene).

Molecular Properties

Compound Namemethane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
PubChem CID157430055
Molecular FormulaC57H60O2S2
Molecular Weight841.24 g/mol
Exact Mass840.40
IUPAC Namemethane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
SMILESC.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/2C14H14O.2C14H14S.CH4/c4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;/h4*3-10H,1-2H3;1H4
InChIKeyBQKOFWKSRMITEF-UHFFFAOYSA-N
XLogP17.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.24
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
CID 161224298
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium
CID 160603208
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
CID 157116832
2-[4-(4-methylphenoxy)phenyl]sulfanylethanamine
CID 141168996
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
2-[1-[4-[4-[4-[4-[1-(2-amino-4-methylphenyl)ethyl]phenyl]sulfanylphenoxy]phenyl]sulfanylphenyl]ethyl]-5-methylaniline
CID 139795140
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463

Frequently Asked Questions

What is the IUPAC name of methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The IUPAC name of methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) (CID 157430055) is methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene).
What is the SMILES notation for methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The canonical SMILES for methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) is C.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
The InChIKey is BQKOFWKSRMITEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O.2C14H14S.CH4/c4*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;/h4*3-10H,1-2H3;1H4.
What are the key properties of methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)?
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) has a molecular weight of 841.24 g/mol, XLogP of 17.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene) is sourced from PubChem (CID 157430055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).