[4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate

C59H46N2O8 — CID 22089897

About [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate

[4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate (PubChem CID 22089897) has the molecular formula C59H46N2O8 and a molecular weight of 911.02 g/mol. Its IUPAC name is [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate.

Molecular Properties

• Compound Name: [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate
• PubChem CID: 22089897
• Molecular Formula: C59H46N2O8
• Molecular Weight: 911.02 g/mol
• Exact Mass: 910.33
• IUPAC Name: [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate
• SMILES: C=COc1ccc(N(c2ccc(OC(=O)C=C)cc2)c2ccc(-c3ccc(OCOc4ccc(-c5ccc(N(c6ccc(OC=C)cc6)c6ccc(OC(=O)C=C)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C59H46N2O8/c1-5-58(62)68-56-37-25-50(26-38-56)60(48-21-33-52(34-22-48)64-7-3)46-17-9-42(10-18-46)44-13-29-54(30-14-44)66-41-67-55-31-15-45(16-32-55)43-11-19-47(20-12-43)61(49-23-35-53(36-24-49)65-8-4)51-27-39-57(40-28-51)69-59(63)6-2/h5-40H,1-4,41H2
• InChIKey: WIGFUDSCSBZMDS-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 96.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.02
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate?

The IUPAC name of [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate (CID 22089897) is [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate.

What is the SMILES notation for [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate?

The canonical SMILES for [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate is C=COc1ccc(N(c2ccc(OC(=O)C=C)cc2)c2ccc(-c3ccc(OCOc4ccc(-c5ccc(N(c6ccc(OC=C)cc6)c6ccc(OC(=O)C=C)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate?

The InChIKey is WIGFUDSCSBZMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2O8/c1-5-58(62)68-56-37-25-50(26-38-56)60(48-21-33-52(34-22-48)64-7-3)46-17-9-42(10-18-46)44-13-29-54(30-14-44)66-41-67-55-31-15-45(16-32-55)43-11-19-47(20-12-43)61(49-23-35-53(36-24-49)65-8-4)51-27-39-57(40-28-51)69-59(63)6-2/h5-40H,1-4,41H2.

What are the key properties of [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate?

[4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate has a molecular weight of 911.02 g/mol, XLogP of 14.60, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[N-(4-ethenoxyphenyl)-4-[4-[[4-[4-(4-ethenoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenoxy]methoxy]phenyl]anilino]phenyl] prop-2-enoate is sourced from PubChem (CID 22089897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).