About N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile
N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile (PubChem CID 159433022) has the molecular formula C90H79N7O
and a molecular weight of 1274.67 g/mol. Its IUPAC name is N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile.
Molecular Properties
| Compound Name | N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile |
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| PubChem CID | 159433022 |
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| Molecular Formula | C90H79N7O |
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| Molecular Weight | 1274.67 g/mol |
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| Exact Mass | 1273.63 |
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| IUPAC Name | N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile |
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| SMILES | CN(c1ccc(C#N)cc1)c1cccc2ccccc12.COc1ccc(N(C)c2cccc3ccccc23)cc1.Cc1cccc(N(C)c2cccc3ccccc23)c1.Cc1cccc(N(C)c2cccc3ccccc23)c1.[C-]#[N+]c1cccc(N(C)c2cccc3ccccc23)c1 |
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| InChI | InChI=1S/2C18H14N2.C18H17NO.2C18H17N/c1-19-15-9-6-10-16(13-15)20(2)18-12-5-8-14-7-3-4-11-17(14)18;1-20(16-11-9-14(13-19)10-12-16)18-8-4-6-15-5-2-3-7-17(15)18;1-19(15-10-12-16(20-2)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18;2*1-14-7-5-10-16(13-14)19(2)18-12-6-9-15-8-3-4-11-17(15)18/h3-13H,2H3;2-12H,1H3;3-13H,1-2H3;2*3-13H,1-2H3 |
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| InChIKey | LRFLIJBXVKYFTD-UHFFFAOYSA-N |
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| XLogP | 24.09 |
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| TPSA | 53.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 98 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1274.67 |
| LogP ≤ 5 | 24.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile?
The IUPAC name of N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile (CID 159433022) is N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile.
What is the SMILES notation for N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile?
The canonical SMILES for N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile is CN(c1ccc(C#N)cc1)c1cccc2ccccc12.COc1ccc(N(C)c2cccc3ccccc23)cc1.Cc1cccc(N(C)c2cccc3ccccc23)c1.Cc1cccc(N(C)c2cccc3ccccc23)c1.[C-]#[N+]c1cccc(N(C)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile?
The InChIKey is LRFLIJBXVKYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N2.C18H17NO.2C18H17N/c1-19-15-9-6-10-16(13-15)20(2)18-12-5-8-14-7-3-4-11-17(14)18;1-20(16-11-9-14(13-19)10-12-16)18-8-4-6-15-5-2-3-7-17(15)18;1-19(15-10-12-16(20-2)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18;2*1-14-7-5-10-16(13-14)19(2)18-12-6-9-15-8-3-4-11-17(15)18/h3-13H,2H3;2-12H,1H3;3-13H,1-2H3;2*3-13H,1-2H3.
What are the key properties of N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile?
N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile has a molecular weight of 1274.67 g/mol, XLogP of 24.09, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isocyanophenyl)-N-methylnaphthalen-1-amine;N-(4-methoxyphenyl)-N-methylnaphthalen-1-amine;bis(N-methyl-N-(3-methylphenyl)naphthalen-1-amine);4-[methyl(naphthalen-1-yl)amino]benzonitrile is sourced from PubChem (CID 159433022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).