About N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine
N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 71037954) has the molecular formula C24H44N8P2
and a molecular weight of 506.62 g/mol. Its IUPAC name is N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine.
Molecular Properties
| Compound Name | N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine |
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| PubChem CID | 71037954 |
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| Molecular Formula | C24H44N8P2 |
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| Molecular Weight | 506.62 g/mol |
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| Exact Mass | 506.32 |
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| IUPAC Name | N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine |
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| SMILES | CN(C)P(=Nc1ccccc1-c1ccccc1N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C |
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| InChI | InChI=1S/C24H44N8P2/c1-27(2)33(28(3)4,29(5)6)25-23-19-15-13-17-21(23)22-18-14-16-20-24(22)26-34(30(7)8,31(9)10)32(11)12/h13-20H,1-12H3 |
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| InChIKey | XXVGSINFXQQNCH-UHFFFAOYSA-N |
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| XLogP | 5.88 |
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| TPSA | 44.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 506.62 |
| LogP ≤ 5 | 5.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine (CID 71037954) is N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=Nc1ccccc1-c1ccccc1N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is XXVGSINFXQQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N8P2/c1-27(2)33(28(3)4,29(5)6)25-23-19-15-13-17-21(23)22-18-14-16-20-24(22)26-34(30(7)8,31(9)10)32(11)12/h13-20H,1-12H3.
What are the key properties of N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine?
N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 506.62 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-[2-[2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phenyl]phenyl]imino-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 71037954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).