About N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine
N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine (PubChem CID 153290755) has the molecular formula C72H54N4O6
and a molecular weight of 1071.25 g/mol. Its IUPAC name is N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine.
Molecular Properties
| Compound Name | N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine |
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| PubChem CID | 153290755 |
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| Molecular Formula | C72H54N4O6 |
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| Molecular Weight | 1071.25 g/mol |
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| Exact Mass | 1070.40 |
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| IUPAC Name | N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine |
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| SMILES | Cc1ccc(Oc2cccc(Oc3ccc(/N=C/c4cccc(/C=N/c5ccc(Oc6cccc(Oc7ccc(/N=C/c8cccc(/C=N/c9ccc(Oc%10cccc(Oc%11ccc(C)cc%11)c%10)cc9)c8)cc7)c6)cc5)c4)cc3)c2)cc1 |
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| InChI | InChI=1S/C72H54N4O6/c1-51-18-30-61(31-19-51)77-67-12-5-14-69(44-67)79-63-34-22-57(23-35-63)73-47-53-8-3-10-55(42-53)49-75-59-26-38-65(39-27-59)81-71-16-7-17-72(46-71)82-66-40-28-60(29-41-66)76-50-56-11-4-9-54(43-56)48-74-58-24-36-64(37-25-58)80-70-15-6-13-68(45-70)78-62-32-20-52(2)21-33-62/h3-50H,1-2H3/b73-47+,74-48+,75-49+,76-50+ |
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| InChIKey | SQBMGOHZLMLTQP-ZAKRSTKRSA-N |
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| XLogP | 20.06 |
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| TPSA | 104.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 82 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1071.25 |
| LogP ≤ 5 | 20.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Analyze N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine?
The IUPAC name of N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine (CID 153290755) is N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine?
The canonical SMILES for N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine is Cc1ccc(Oc2cccc(Oc3ccc(/N=C/c4cccc(/C=N/c5ccc(Oc6cccc(Oc7ccc(/N=C/c8cccc(/C=N/c9ccc(Oc%10cccc(Oc%11ccc(C)cc%11)c%10)cc9)c8)cc7)c6)cc5)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine?
The InChIKey is SQBMGOHZLMLTQP-ZAKRSTKRSA-N. The full InChI is InChI=1S/C72H54N4O6/c1-51-18-30-61(31-19-51)77-67-12-5-14-69(44-67)79-63-34-22-57(23-35-63)73-47-53-8-3-10-55(42-53)49-75-59-26-38-65(39-27-59)81-71-16-7-17-72(46-71)82-66-40-28-60(29-41-66)76-50-56-11-4-9-54(43-56)48-74-58-24-36-64(37-25-58)80-70-15-6-13-68(45-70)78-62-32-20-52(2)21-33-62/h3-50H,1-2H3/b73-47+,74-48+,75-49+,76-50+.
What are the key properties of N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine?
N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine has a molecular weight of 1071.25 g/mol, XLogP of 20.06, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1-[3-[[4-[3-[4-[[3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]iminomethyl]phenyl]methylideneamino]phenoxy]phenoxy]phenyl]iminomethyl]phenyl]methanimine is sourced from PubChem (CID 153290755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).