4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol

C58H50O10S3 — CID 176631821

About 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol

4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol (PubChem CID 176631821) has the molecular formula C58H50O10S3 and a molecular weight of 1003.23 g/mol. Its IUPAC name is 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol.

Molecular Properties

• Compound Name: 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol
• PubChem CID: 176631821
• Molecular Formula: C58H50O10S3
• Molecular Weight: 1003.23 g/mol
• Exact Mass: 1002.26
• IUPAC Name: 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol
• SMILES: C=CCc1cc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(O)cc8)cc7)cc6)cc5)cc4)cc3)c(/C=C/C)c2)ccc1C
• InChI: InChI=1S/C58H50O10S3/c1-6-8-41-38-55(27-10-40(41)3)71(64,65)56-36-37-57(42(39-56)9-7-2)68-50-25-34-54(35-26-50)70(62,63)53-32-23-49(24-33-53)67-47-19-13-44(14-20-47)58(4,5)43-11-17-46(18-12-43)66-48-21-30-52(31-22-48)69(60,61)51-28-15-45(59)16-29-51/h6-7,9-39,59H,1,8H2,2-5H3/b9-7+
• InChIKey: WUGHBXXSLUQQEA-VQHVLOKHSA-N
• XLogP: 13.66
• TPSA: 150.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.23
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol?

The IUPAC name of 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol (CID 176631821) is 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol.

What is the SMILES notation for 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol?

The canonical SMILES for 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol is C=CCc1cc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(O)cc8)cc7)cc6)cc5)cc4)cc3)c(/C=C/C)c2)ccc1C.

What is the InChIKey of 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol?

The InChIKey is WUGHBXXSLUQQEA-VQHVLOKHSA-N. The full InChI is InChI=1S/C58H50O10S3/c1-6-8-41-38-55(27-10-40(41)3)71(64,65)56-36-37-57(42(39-56)9-7-2)68-50-25-34-54(35-26-50)70(62,63)53-32-23-49(24-33-53)67-47-19-13-44(14-20-47)58(4,5)43-11-17-46(18-12-43)66-48-21-30-52(31-22-48)69(60,61)51-28-15-45(59)16-29-51/h6-7,9-39,59H,1,8H2,2-5H3/b9-7+.

What are the key properties of 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol?

4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol has a molecular weight of 1003.23 g/mol, XLogP of 13.66, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[2-[4-[4-[4-[4-(4-methyl-3-prop-2-enylphenyl)sulfonyl-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 176631821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).