About [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene
[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene (PubChem CID 102140289) has the molecular formula C34H54N12P2
and a molecular weight of 692.84 g/mol. Its IUPAC name is [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene.
Molecular Properties
| Compound Name | [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene |
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| PubChem CID | 102140289 |
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| Molecular Formula | C34H54N12P2 |
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| Molecular Weight | 692.84 g/mol |
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| Exact Mass | 692.41 |
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| IUPAC Name | [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene |
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| SMILES | c1cc(/N=N/N=P(N2CCCC2)(N2CCCC2)N2CCCC2)c2c(/N=N/N=P(N3CCCC3)(N3CCCC3)N3CCCC3)cccc2c1 |
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| InChI | InChI=1S/C34H54N12P2/c1-2-20-41(19-1)47(42-21-3-4-22-42,43-23-5-6-24-43)39-37-35-32-17-13-15-31-16-14-18-33(34(31)32)36-38-40-48(44-25-7-8-26-44,45-27-9-10-28-45)46-29-11-12-30-46/h13-18H,1-12,19-30H2/b37-35+,38-36+ |
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| InChIKey | NEROOEJPSJSWDP-ATXIYDNESA-N |
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| XLogP | 9.30 |
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| TPSA | 93.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 692.84 |
| LogP ≤ 5 | 9.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Analyze [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene with MolForge
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Frequently Asked Questions
What is the IUPAC name of [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene?
The IUPAC name of [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene (CID 102140289) is [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene.
What is the SMILES notation for [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene?
The canonical SMILES for [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene is c1cc(/N=N/N=P(N2CCCC2)(N2CCCC2)N2CCCC2)c2c(/N=N/N=P(N3CCCC3)(N3CCCC3)N3CCCC3)cccc2c1.
What is the InChIKey of [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene?
The InChIKey is NEROOEJPSJSWDP-ATXIYDNESA-N. The full InChI is InChI=1S/C34H54N12P2/c1-2-20-41(19-1)47(42-21-3-4-22-42,43-23-5-6-24-43)39-37-35-32-17-13-15-31-16-14-18-33(34(31)32)36-38-40-48(44-25-7-8-26-44,45-27-9-10-28-45)46-29-11-12-30-46/h13-18H,1-12,19-30H2/b37-35+,38-36+.
What are the key properties of [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene?
[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene has a molecular weight of 692.84 g/mol, XLogP of 9.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene is sourced from PubChem (CID 102140289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).