[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate

C107H109N3O22 — CID 160712390

IUPAC[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(OCc4ccc(C=C)cc4)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1
InChIInChI=1S/C37H35NO6.C35H38N2O6.C35H36O10/c1-4-28-8-10-30(11-9-28)26-43-33-16-12-29(13-17-33)25-38-35-21-20-34(24-27(35)3)44-37(40)31-14-18-32(19-15-31)41-22-6-7-23-42-36(39)5-2;1-4-34(38)42-22-8-6-20-40-31-15-10-28(11-16-31)25-36-30-14-19-33(27(3)24-30)37-26-29-12-17-32(18-13-29)41-21-7-9-23-43-35(39)5-2;1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,8-21,24-25H,1-2,6-7,22-23,26H2,3H3;4-5,10-19,24-26H,1-2,6-9,20-23H2,3H3;4-5,10-19,24H,1-2,6-9,20-23H2,3H3/b38-25+;36-25+,37-26+;
InChIKeyRSAKYMLOGDOVEX-NUKUAICDSA-N
MW1789.05 g/mol
LogP21.56
Rot. Bonds51

About [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate

[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate (PubChem CID 160712390) has the molecular formula C107H109N3O22 and a molecular weight of 1789.05 g/mol. Its IUPAC name is [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate
PubChem CID160712390
Molecular FormulaC107H109N3O22
Molecular Weight1789.05 g/mol
Exact Mass1787.75
IUPAC Name[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(OCc4ccc(C=C)cc4)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1
InChIInChI=1S/C37H35NO6.C35H38N2O6.C35H36O10/c1-4-28-8-10-30(11-9-28)26-43-33-16-12-29(13-17-33)25-38-35-21-20-34(24-27(35)3)44-37(40)31-14-18-32(19-15-31)41-22-6-7-23-42-36(39)5-2;1-4-34(38)42-22-8-6-20-40-31-15-10-28(11-16-31)25-36-30-14-19-33(27(3)24-30)37-26-29-12-17-32(18-13-29)41-21-7-9-23-43-35(39)5-2;1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,8-21,24-25H,1-2,6-7,22-23,26H2,3H3;4-5,10-19,24-26H,1-2,6-9,20-23H2,3H3;4-5,10-19,24H,1-2,6-9,20-23H2,3H3/b38-25+;36-25+,37-26+;
InChIKeyRSAKYMLOGDOVEX-NUKUAICDSA-N
XLogP21.56
TPSA302.86 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds51
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.05
LogP ≤ 521.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate with MolForge

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Related Compounds

[2-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-hydroxybenzoate
CID 142223934
ethane;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 145125314
[2-methyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-hydroxybenzoate
CID 58640515
[4-(4-prop-2-enoyloxybutoxy)phenyl] 3-methyl-4-[4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxybenzoyl]oxybenzoate
CID 169077993
methane;[3-methyl-4-[4-(4-propanoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158354481
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 162149365
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoylperoxybutoxy)benzoate
CID 137394835
[2-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-phenylbenzoate
CID 118880201
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;[4-[2-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;2-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]ethyl 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[2-[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxybenzoyl]oxyethyl]phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;2-[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl]ethyl 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 160787074
[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(12-prop-2-enoyloxydodecoxy)benzoyl]oxy]benzoate
CID 23355754
[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl]methyl 2,5-bis[[4-(9-prop-2-enoyloxynonoxy)benzoyl]oxy]benzoate
CID 23355783
[4-[4-[6-(1-aminoprop-2-enylideneamino)hexoxy]benzoyl]oxy-3-methylphenyl] 4-[6-(1-aminoprop-2-enylideneamino)hexoxy]benzoate
CID 144914311

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate?
The IUPAC name of [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate (CID 160712390) is [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate.
What is the SMILES notation for [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate?
The canonical SMILES for [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(OCc4ccc(C=C)cc4)cc3)c(C)c2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.
What is the InChIKey of [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate?
The InChIKey is RSAKYMLOGDOVEX-NUKUAICDSA-N. The full InChI is InChI=1S/C37H35NO6.C35H38N2O6.C35H36O10/c1-4-28-8-10-30(11-9-28)26-43-33-16-12-29(13-17-33)25-38-35-21-20-34(24-27(35)3)44-37(40)31-14-18-32(19-15-31)41-22-6-7-23-42-36(39)5-2;1-4-34(38)42-22-8-6-20-40-31-15-10-28(11-16-31)25-36-30-14-19-33(27(3)24-30)37-26-29-12-17-32(18-13-29)41-21-7-9-23-43-35(39)5-2;1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,8-21,24-25H,1-2,6-7,22-23,26H2,3H3;4-5,10-19,24-26H,1-2,6-9,20-23H2,3H3;4-5,10-19,24H,1-2,6-9,20-23H2,3H3/b38-25+;36-25+,37-26+;.
What are the key properties of [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate?
[4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate has a molecular weight of 1789.05 g/mol, XLogP of 21.56, 51 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;4-[4-[[3-methyl-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]methylideneamino]phenyl]iminomethyl]phenoxy]butyl prop-2-enoate is sourced from PubChem (CID 160712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).