1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene

C97H84O8 — CID 22630542

About 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene

1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene (PubChem CID 22630542) has the molecular formula C97H84O8 and a molecular weight of 1377.73 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
• PubChem CID: 22630542
• Molecular Formula: C97H84O8
• Molecular Weight: 1377.73 g/mol
• Exact Mass: 1376.62
• IUPAC Name: 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
• SMILES: COc1cc(/C=C/c2ccccc2/C=C/c2ccccc2C(c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)(c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1
• InChI: InChI=1S/C97H84O8/c1-98-85-57-69(58-86(65-85)99-2)41-45-73-25-9-13-29-77(73)49-53-81-33-17-21-37-93(81)97(94-38-22-18-34-82(94)54-50-78-30-14-10-26-74(78)46-42-70-59-87(100-3)66-88(60-70)101-4,95-39-23-19-35-83(95)55-51-79-31-15-11-27-75(79)47-43-71-61-89(102-5)67-90(62-71)103-6)96-40-24-20-36-84(96)56-52-80-32-16-12-28-76(80)48-44-72-63-91(104-7)68-92(64-72)105-8/h9-68H,1-8H3/b45-41+,46-42+,47-43+,48-44+,53-49+,54-50+,55-51+,56-52+
• InChIKey: AMSYWUQKHMSPNP-YNFRXIJPSA-N
• XLogP: 23.50
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.73
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The IUPAC name of 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene (CID 22630542) is 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene is COc1cc(/C=C/c2ccccc2/C=C/c2ccccc2C(c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)(c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)c2ccccc2/C=C/c2ccccc2/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1.

What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

The InChIKey is AMSYWUQKHMSPNP-YNFRXIJPSA-N. The full InChI is InChI=1S/C97H84O8/c1-98-85-57-69(58-86(65-85)99-2)41-45-73-25-9-13-29-77(73)49-53-81-33-17-21-37-93(81)97(94-38-22-18-34-82(94)54-50-78-30-14-10-26-74(78)46-42-70-59-87(100-3)66-88(60-70)101-4,95-39-23-19-35-83(95)55-51-79-31-15-11-27-75(79)47-43-71-61-89(102-5)67-90(62-71)103-6)96-40-24-20-36-84(96)56-52-80-32-16-12-28-76(80)48-44-72-63-91(104-7)68-92(64-72)105-8/h9-68H,1-8H3/b45-41+,46-42+,47-43+,48-44+,53-49+,54-50+,55-51+,56-52+.

What are the key properties of 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene?

1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene has a molecular weight of 1377.73 g/mol, XLogP of 23.50, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxy-5-[(E)-2-[2-[(E)-2-[2-[tris[2-[(E)-2-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 22630542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).