1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate

C107H88N2O5 — CID 54475914

About 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate

1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (PubChem CID 54475914) has the molecular formula C107H88N2O5 and a molecular weight of 1481.89 g/mol. Its IUPAC name is 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.

Molecular Properties

• Compound Name: 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
• PubChem CID: 54475914
• Molecular Formula: C107H88N2O5
• Molecular Weight: 1481.89 g/mol
• Exact Mass: 1480.67
• IUPAC Name: 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
• SMILES: COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccc(C(=Cc4ccc(N(c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)c5ccc(C(C)=O)cc5)cc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C89H68N2O2.C18H20O3/c1-65(92)70-45-55-83(56-46-70)90(79-47-33-66(34-48-79)61-86(71-21-9-3-10-22-71)72-23-11-4-12-24-72)80-49-37-68(38-50-80)63-88(75-29-17-7-18-30-75)77-41-43-78(44-42-77)89(76-31-19-8-20-32-76)64-69-39-53-82(54-40-69)91(84-57-59-85(93-2)60-58-84)81-51-35-67(36-52-81)62-87(73-25-13-5-14-26-73)74-27-15-6-16-28-74;1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14/h3-64H,1-2H3;5-12H,1-4H3
• InChIKey: XLOHYHXJIYLRMO-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 68.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1481.89
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?

The IUPAC name of 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate (CID 54475914) is 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate.

What is the SMILES notation for 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?

The canonical SMILES for 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccc(C(=Cc4ccc(N(c5ccc(C=C(c6ccccc6)c6ccccc6)cc5)c5ccc(C(C)=O)cc5)cc4)c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?

The InChIKey is XLOHYHXJIYLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H68N2O2.C18H20O3/c1-65(92)70-45-55-83(56-46-70)90(79-47-33-66(34-48-79)61-86(71-21-9-3-10-22-71)72-23-11-4-12-24-72)80-49-37-68(38-50-80)63-88(75-29-17-7-18-30-75)77-41-43-78(44-42-77)89(76-31-19-8-20-32-76)64-69-39-53-82(54-40-69)91(84-57-59-85(93-2)60-58-84)81-51-35-67(36-52-81)62-87(73-25-13-5-14-26-73)74-27-15-6-16-28-74;1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14/h3-64H,1-2H3;5-12H,1-4H3.

What are the key properties of 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate?

1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate has a molecular weight of 1481.89 g/mol, XLogP of 27.14, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2,2-diphenylethenyl)-N-[4-[2-[4-[2-[4-[4-(2,2-diphenylethenyl)-N-(4-methoxyphenyl)anilino]phenyl]-1-phenylethenyl]phenyl]-2-phenylethenyl]phenyl]anilino]phenyl]ethanone;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate is sourced from PubChem (CID 54475914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).