(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

C135H160O14S2 — CID 159868198

IUPAC(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
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/2C59H54O7S.8C2H6.CH4/c1-39-9-34-54(37-40(39)2)67(61,62)55-35-36-56(41(3)38-55)66-53-32-20-47(21-33-53)59(6,7)46-18-30-52(31-19-46)65-50-24-12-43(13-25-50)57(60)42-10-22-49(23-11-42)64-51-28-16-45(17-29-51)58(4,5)44-14-26-48(63-8)27-15-44;1-39-9-10-42(37-40(39)2)57(60)43-11-36-56(41(3)38-43)66-53-26-18-47(19-27-53)59(6,7)46-16-24-50(25-17-46)65-52-30-34-55(35-31-52)67(61,62)54-32-28-51(29-33-54)64-49-22-14-45(15-23-49)58(4,5)44-12-20-48(63-8)21-13-44;8*1-2;/h2*9-38H,1-8H3;8*1-2H3;1H4
InChIKeyNRZPZVXMGUOELC-UHFFFAOYSA-N
MW2070.88 g/mol
LogP38.27
Rot. Bonds30

About (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

(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 (PubChem CID 159868198) has the molecular formula C135H160O14S2 and a molecular weight of 2070.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159868198
Molecular FormulaC135H160O14S2
Molecular Weight2070.88 g/mol
Exact Mass2069.12
IUPAC Name(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
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/2C59H54O7S.8C2H6.CH4/c1-39-9-34-54(37-40(39)2)67(61,62)55-35-36-56(41(3)38-55)66-53-32-20-47(21-33-53)59(6,7)46-18-30-52(31-19-46)65-50-24-12-43(13-25-50)57(60)42-10-22-49(23-11-42)64-51-28-16-45(17-29-51)58(4,5)44-14-26-48(63-8)27-15-44;1-39-9-10-42(37-40(39)2)57(60)43-11-36-56(41(3)38-43)66-53-26-18-47(19-27-53)59(6,7)46-16-24-50(25-17-46)65-52-30-34-55(35-31-52)67(61,62)54-32-28-51(29-33-54)64-49-22-14-45(15-23-49)58(4,5)44-12-20-48(63-8)21-13-44;8*1-2;/h2*9-38H,1-8H3;8*1-2H3;1H4
InChIKeyNRZPZVXMGUOELC-UHFFFAOYSA-N
XLogP38.27
TPSA176.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.88
LogP ≤ 538.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)c8ccc(C)c(C)c8)cc7C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of (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?
The InChIKey is NRZPZVXMGUOELC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H54O7S.8C2H6.CH4/c1-39-9-34-54(37-40(39)2)67(61,62)55-35-36-56(41(3)38-55)66-53-32-20-47(21-33-53)59(6,7)46-18-30-52(31-19-46)65-50-24-12-43(13-25-50)57(60)42-10-22-49(23-11-42)64-51-28-16-45(17-29-51)58(4,5)44-14-26-48(63-8)27-15-44;1-39-9-10-42(37-40(39)2)57(60)43-11-36-56(41(3)38-43)66-53-26-18-47(19-27-53)59(6,7)46-16-24-50(25-17-46)65-52-30-34-55(35-31-52)67(61,62)54-32-28-51(29-33-54)64-49-22-14-45(15-23-49)58(4,5)44-12-20-48(63-8)21-13-44;8*1-2;/h2*9-38H,1-8H3;8*1-2H3;1H4.
What are the key properties of (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?
(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 has a molecular weight of 2070.88 g/mol, XLogP of 38.27, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159868198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).