[4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate

C208H184O37 — CID 123818510

About [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate

[4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate (PubChem CID 123818510) has the molecular formula C208H184O37 and a molecular weight of 3275.72 g/mol. Its IUPAC name is [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate.

Molecular Properties

• Compound Name: [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate
• PubChem CID: 123818510
• Molecular Formula: C208H184O37
• Molecular Weight: 3275.72 g/mol
• Exact Mass: 3273.25
• IUPAC Name: [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate
• SMILES: C=CC(=O)Cc1ccc(-c2ccc(C(=O)Oc3ccc(/C(=C(\c4ccc(OC(=O)c5ccc(-c6ccc(C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCCCOC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1.C=CC(=O)Cc1ccc(OCCOc2ccc(C(=O)Oc3ccc(/C(=C(\c4ccc(OC(=O)c5ccc(OCCOc6ccc(CC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(OCCOc6ccc(OCCCCCOC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(OCCOc6ccc(OCCCCCOC(=O)C=C)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C110H100O24.C98H84O13/c1-5-87(111)75-77-15-35-89(36-16-77)121-67-69-123-91-39-27-83(28-40-91)107(115)131-99-47-19-79(20-48-99)105(81-23-51-101(52-24-81)133-109(117)85-31-43-93(44-32-85)125-71-73-127-97-59-55-95(56-60-97)119-63-11-9-13-65-129-103(113)7-3)106(80-21-49-100(50-22-80)132-108(116)84-29-41-92(42-30-84)124-70-68-122-90-37-17-78(18-38-90)76-88(112)6-2)82-25-53-102(54-26-82)134-110(118)86-33-45-94(46-34-86)126-72-74-128-98-61-57-96(58-62-98)120-64-12-10-14-66-130-104(114)8-4;1-5-8-9-12-63-105-86-51-39-75(40-52-86)73-27-35-83(36-28-73)97(103)110-90-61-49-80(50-62-90)94(78-45-57-89(58-46-78)109-96(102)82-33-25-72(26-34-82)70-21-17-68(18-22-70)66-85(99)6-2)93(77-43-55-88(56-44-77)108-95(101)81-31-23-71(24-32-81)69-19-15-67(4)16-20-69)79-47-59-91(60-48-79)111-98(104)84-37-29-74(30-38-84)76-41-53-87(54-42-76)106-64-13-10-11-14-65-107-92(100)7-3/h5-8,15-62H,1-4,9-14,63-76H2;6-7,15-62H,2-3,5,8-14,63-66H2,1,4H3/b106-105-;94-93-
• InChIKey: FEIHLICJEURBKJ-QZMJNUALSA-N
• XLogP: 43.03
• TPSA: 451.27 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 88
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3275.72
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate?

The IUPAC name of [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate (CID 123818510) is [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate.

What is the SMILES notation for [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate?

The canonical SMILES for [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate is C=CC(=O)Cc1ccc(-c2ccc(C(=O)Oc3ccc(/C(=C(\c4ccc(OC(=O)c5ccc(-c6ccc(C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCCCOC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCCC)cc6)cc5)cc4)cc3)cc2)cc1.C=CC(=O)Cc1ccc(OCCOc2ccc(C(=O)Oc3ccc(/C(=C(\c4ccc(OC(=O)c5ccc(OCCOc6ccc(CC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(OCCOc6ccc(OCCCCCOC(=O)C=C)cc6)cc5)cc4)c4ccc(OC(=O)c5ccc(OCCOc6ccc(OCCCCCOC(=O)C=C)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate?

The InChIKey is FEIHLICJEURBKJ-QZMJNUALSA-N. The full InChI is InChI=1S/C110H100O24.C98H84O13/c1-5-87(111)75-77-15-35-89(36-16-77)121-67-69-123-91-39-27-83(28-40-91)107(115)131-99-47-19-79(20-48-99)105(81-23-51-101(52-24-81)133-109(117)85-31-43-93(44-32-85)125-71-73-127-97-59-55-95(56-60-97)119-63-11-9-13-65-129-103(113)7-3)106(80-21-49-100(50-22-80)132-108(116)84-29-41-92(42-30-84)124-70-68-122-90-37-17-78(18-38-90)76-88(112)6-2)82-25-53-102(54-26-82)134-110(118)86-33-45-94(46-34-86)126-72-74-128-98-61-57-96(58-62-98)120-64-12-10-14-66-130-104(114)8-4;1-5-8-9-12-63-105-86-51-39-75(40-52-86)73-27-35-83(36-28-73)97(103)110-90-61-49-80(50-62-90)94(78-45-57-89(58-46-78)109-96(102)82-33-25-72(26-34-82)70-21-17-68(18-22-70)66-85(99)6-2)93(77-43-55-88(56-44-77)108-95(101)81-31-23-71(24-32-81)69-19-15-67(4)16-20-69)79-47-59-91(60-48-79)111-98(104)84-37-29-74(30-38-84)76-41-53-87(54-42-76)106-64-13-10-11-14-65-107-92(100)7-3/h5-8,15-62H,1-4,9-14,63-76H2;6-7,15-62H,2-3,5,8-14,63-66H2,1,4H3/b106-105-;94-93-.

What are the key properties of [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate?

[4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate has a molecular weight of 3275.72 g/mol, XLogP of 43.03, 88 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-2-[4-[4-(4-hexoxyphenyl)benzoyl]oxyphenyl]-2-[4-[4-[4-(2-oxobut-3-enyl)phenyl]benzoyl]oxyphenyl]-1-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]benzoyl]oxyphenyl]ethenyl]phenyl] 4-(4-methylphenyl)benzoate;[4-[(Z)-2-[4-[4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoyl]oxyphenyl]-1,2-bis[4-[4-[2-[4-(5-prop-2-enoyloxypentoxy)phenoxy]ethoxy]benzoyl]oxyphenyl]ethenyl]phenyl] 4-[2-[4-(2-oxobut-3-enyl)phenoxy]ethoxy]benzoate is sourced from PubChem (CID 123818510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).