About N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine
N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine (PubChem CID 164993195) has the molecular formula C52H35F3N10S
and a molecular weight of 888.98 g/mol. Its IUPAC name is N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine.
Molecular Properties
| Compound Name | N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine |
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| PubChem CID | 164993195 |
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| Molecular Formula | C52H35F3N10S |
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| Molecular Weight | 888.98 g/mol |
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| Exact Mass | 888.27 |
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| IUPAC Name | N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine |
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| SMILES | Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4ccc(/C=N/c5ccc(/N=N/c6ccc(/N=N/c7ccc(C(F)(F)F)cc7)cc6)c6ccccc56)s4)c4ccccc34)cc2)cc1 |
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| InChI | InChI=1S/C52H35F3N10S/c1-34-10-14-36(15-11-34)58-60-38-18-22-40(23-19-38)62-64-50-30-28-48(44-6-2-4-8-46(44)50)56-32-42-26-27-43(66-42)33-57-49-29-31-51(47-9-5-3-7-45(47)49)65-63-41-24-20-39(21-25-41)61-59-37-16-12-35(13-17-37)52(53,54)55/h2-33H,1H3/b56-32+,57-33+,60-58+,61-59+,64-62+,65-63+ |
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| InChIKey | JRZIUGLMLRACOS-BSERTPSSSA-N |
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| XLogP | 18.54 |
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| TPSA | 123.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 888.98 |
| LogP ≤ 5 | 18.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
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'} |
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Analyze N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine?
The IUPAC name of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine (CID 164993195) is N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine.
What is the SMILES notation for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine?
The canonical SMILES for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine is Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4ccc(/C=N/c5ccc(/N=N/c6ccc(/N=N/c7ccc(C(F)(F)F)cc7)cc6)c6ccccc56)s4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine?
The InChIKey is JRZIUGLMLRACOS-BSERTPSSSA-N. The full InChI is InChI=1S/C52H35F3N10S/c1-34-10-14-36(15-11-34)58-60-38-18-22-40(23-19-38)62-64-50-30-28-48(44-6-2-4-8-46(44)50)56-32-42-26-27-43(66-42)33-57-49-29-31-51(47-9-5-3-7-45(47)49)65-63-41-24-20-39(21-25-41)61-59-37-16-12-35(13-17-37)52(53,54)55/h2-33H,1H3/b56-32+,57-33+,60-58+,61-59+,64-62+,65-63+.
What are the key properties of N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine?
N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine has a molecular weight of 888.98 g/mol, XLogP of 18.54, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]-1-[5-[[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]iminomethyl]thiophen-2-yl]methanimine is sourced from PubChem (CID 164993195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).