1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene

C56H50O8S2 — CID 58734060

IUPAC1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(CC)cc8)c(C)c7)cc6C)cc5)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C56H50O8S2/c1-7-41-9-17-45(18-10-41)61-53-29-25-49(33-37(53)3)65(57,58)51-27-31-55(39(5)35-51)63-47-21-13-43(14-22-47)44-15-23-48(24-16-44)64-56-32-28-52(36-40(56)6)66(59,60)50-26-30-54(38(4)34-50)62-46-19-11-42(8-2)12-20-46/h9-36H,7-8H2,1-6H3
InChIKeyWKJUQLOAHIDTRC-UHFFFAOYSA-N
MW915.14 g/mol
LogP14.55
Rot. Bonds15

About 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene

1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene (PubChem CID 58734060) has the molecular formula C56H50O8S2 and a molecular weight of 915.14 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene
PubChem CID58734060
Molecular FormulaC56H50O8S2
Molecular Weight915.14 g/mol
Exact Mass914.29
IUPAC Name1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(CC)cc8)c(C)c7)cc6C)cc5)cc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C56H50O8S2/c1-7-41-9-17-45(18-10-41)61-53-29-25-49(33-37(53)3)65(57,58)51-27-31-55(39(5)35-51)63-47-21-13-43(14-22-47)44-15-23-48(24-16-44)64-56-32-28-52(36-40(56)6)66(59,60)50-26-30-54(38(4)34-50)62-46-19-11-42(8-2)12-20-46/h9-36H,7-8H2,1-6H3
InChIKeyWKJUQLOAHIDTRC-UHFFFAOYSA-N
XLogP14.55
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.14
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene with MolForge

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Related Compounds

2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
potassium 5-(3,4-dimethylphenyl)sulfonyl-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzenesulfonate
CID 158047655
4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
5-(4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 135215271
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[4-[4-[2-[4-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;ethane
CID 90983097
2-[4-(4-methoxyphenyl)phenoxy]-5-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid
CID 58185878
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
CID 159836116

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene?
The IUPAC name of 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene (CID 58734060) is 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene.
What is the SMILES notation for 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene?
The canonical SMILES for 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene is CCc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(CC)cc8)c(C)c7)cc6C)cc5)cc4)c(C)c3)cc2C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene?
The InChIKey is WKJUQLOAHIDTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50O8S2/c1-7-41-9-17-45(18-10-41)61-53-29-25-49(33-37(53)3)65(57,58)51-27-31-55(39(5)35-51)63-47-21-13-43(14-22-47)44-15-23-48(24-16-44)64-56-32-28-52(36-40(56)6)66(59,60)50-26-30-54(38(4)34-50)62-46-19-11-42(8-2)12-20-46/h9-36H,7-8H2,1-6H3.
What are the key properties of 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene?
1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene has a molecular weight of 915.14 g/mol, XLogP of 14.55, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-4-[4-[4-[4-[4-[4-(4-ethylphenoxy)-3-methylphenyl]sulfonyl-2-methylphenoxy]phenyl]phenoxy]-3-methylphenyl]sulfonyl-2-methylbenzene is sourced from PubChem (CID 58734060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).