methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate

C24H21N21O3 — CID 131990754

IUPACmethyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate
SMILESC/N=N/N=NN=NN=NN=NN=NN=NN=NN=NN=NOc1ccc(/C=N/c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H21N21O3/c1-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-48-23-14-5-19(6-15-23)17-26-22-12-10-21(11-13-22)20-8-3-18(4-9-20)7-16-24(46)47-2/h3-17H,1-2H3/b16-7?,26-17+,27-25+,29-28?,31-30?,33-32?,35-34?,37-36?,39-38?,41-40?,43-42?,45-44?
InChIKeyGARHONNEJYRJEY-LCGFYONFSA-N
MW651.58 g/mol
LogP8.97
Rot. Bonds16

About methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate

methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate (PubChem CID 131990754) has the molecular formula C24H21N21O3 and a molecular weight of 651.58 g/mol. Its IUPAC name is methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate
PubChem CID131990754
Molecular FormulaC24H21N21O3
Molecular Weight651.58 g/mol
Exact Mass651.21
IUPAC Namemethyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate
SMILESC/N=N/N=NN=NN=NN=NN=NN=NN=NN=NN=NOc1ccc(/C=N/c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H21N21O3/c1-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-48-23-14-5-19(6-15-23)17-26-22-12-10-21(11-13-22)20-8-3-18(4-9-20)7-16-24(46)47-2/h3-17H,1-2H3/b16-7?,26-17+,27-25+,29-28?,31-30?,33-32?,35-34?,37-36?,39-38?,41-40?,43-42?,45-44?
InChIKeyGARHONNEJYRJEY-LCGFYONFSA-N
XLogP8.97
TPSA295.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.58
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate with MolForge

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Related Compounds

methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 170307380
methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
2-methylbutyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 5379338
[(2S)-2-methylbutyl] 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 2735084
methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
CID 71365484
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
methyl 3-[4-(3,5-difluorophenyl)phenyl]prop-2-enoate
CID 77236379
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate (CID 131990754) is methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate is C/N=N/N=NN=NN=NN=NN=NN=NN=NN=NN=NOc1ccc(/C=N/c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)cc1.
What is the InChIKey of methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate?
The InChIKey is GARHONNEJYRJEY-LCGFYONFSA-N. The full InChI is InChI=1S/C24H21N21O3/c1-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-48-23-14-5-19(6-15-23)17-26-22-12-10-21(11-13-22)20-8-3-18(4-9-20)7-16-24(46)47-2/h3-17H,1-2H3/b16-7?,26-17+,27-25+,29-28?,31-30?,33-32?,35-34?,37-36?,39-38?,41-40?,43-42?,45-44?.
What are the key properties of methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate?
methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate has a molecular weight of 651.58 g/mol, XLogP of 8.97, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 131990754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).