4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol

C94H86O13S3 — CID 167424322

About 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol

4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol (PubChem CID 167424322) has the molecular formula C94H86O13S3 and a molecular weight of 1519.91 g/mol. Its IUPAC name is 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
• PubChem CID: 167424322
• Molecular Formula: C94H86O13S3
• Molecular Weight: 1519.91 g/mol
• Exact Mass: 1518.52
• IUPAC Name: 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
• SMILES: C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(OC)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C94H86O13S3/c1-12-16-64-60-70(24-56-88(64)104-78-36-48-84(49-37-78)108(96,97)82-44-32-75(102-11)33-45-82)93(7,8)72-26-58-90(66(62-72)18-14-3)106-80-40-52-86(53-41-80)110(100,101)87-54-42-81(43-55-87)107-91-59-27-73(63-67(91)19-15-4)94(9,10)71-25-57-89(65(61-71)17-13-2)105-79-38-50-85(51-39-79)109(98,99)83-46-34-77(35-47-83)103-76-30-22-69(23-31-76)92(5,6)68-20-28-74(95)29-21-68/h12-16,18-63,95H,2,17H2,1,3-11H3/b16-12+,18-14+,19-15+
• InChIKey: VTZGCDNDIIUWMS-UPUYGFCCSA-N
• XLogP: 23.67
• TPSA: 178.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.91
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol?

The IUPAC name of 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol (CID 167424322) is 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol.

What is the SMILES notation for 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol?

The canonical SMILES for 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol is C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(OC)cc8)cc7)c(/C=C/C)c6)cc5/C=C/C)cc4)cc3)c(/C=C/C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol?

The InChIKey is VTZGCDNDIIUWMS-UPUYGFCCSA-N. The full InChI is InChI=1S/C94H86O13S3/c1-12-16-64-60-70(24-56-88(64)104-78-36-48-84(49-37-78)108(96,97)82-44-32-75(102-11)33-45-82)93(7,8)72-26-58-90(66(62-72)18-14-3)106-80-40-52-86(53-41-80)110(100,101)87-54-42-81(43-55-87)107-91-59-27-73(63-67(91)19-15-4)94(9,10)71-25-57-89(65(61-71)17-13-2)105-79-38-50-85(51-39-79)109(98,99)83-46-34-77(35-47-83)103-76-30-22-69(23-31-76)92(5,6)68-20-28-74(95)29-21-68/h12-16,18-63,95H,2,17H2,1,3-11H3/b16-12+,18-14+,19-15+.

What are the key properties of 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol?

4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol has a molecular weight of 1519.91 g/mol, XLogP of 23.67, 28 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[4-[4-[4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 167424322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).