About tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane
tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane (PubChem CID 139098280) has the molecular formula C88H128Cr2N8O2P4
and a molecular weight of 1557.93 g/mol. Its IUPAC name is tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane.
Molecular Properties
| Compound Name | tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane |
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| PubChem CID | 139098280 |
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| Molecular Formula | C88H128Cr2N8O2P4 |
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| Molecular Weight | 1557.93 g/mol |
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| Exact Mass | 1556.79 |
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| IUPAC Name | tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane |
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| SMILES | C1CCOC1.C1CCOC1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.[Cr+2].[Cr+2] |
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| InChI | InChI=1S/4C20H28N2P.2C4H8O.2Cr/c4*1-19(2,3)21-23(22-20(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18;2*1-2-4-5-3-1;;/h4*7-16H,1-6H3;2*1-4H2;;/q4*-1;;;2*+2 |
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| InChIKey | DBABOHQGZDFYTA-UHFFFAOYSA-N |
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| XLogP | 24.49 |
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| TPSA | 124.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 104 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1557.93 |
| LogP ≤ 5 | 24.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane?
The IUPAC name of tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane (CID 139098280) is tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane.
What is the SMILES notation for tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane?
The canonical SMILES for tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane is C1CCOC1.C1CCOC1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)N=P([N-]C(C)(C)C)(c1ccccc1)c1ccccc1.[Cr+2].[Cr+2].
What is the InChIKey of tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane?
The InChIKey is DBABOHQGZDFYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H28N2P.2C4H8O.2Cr/c4*1-19(2,3)21-23(22-20(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18;2*1-2-4-5-3-1;;/h4*7-16H,1-6H3;2*1-4H2;;/q4*-1;;;2*+2.
What are the key properties of tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane?
tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane has a molecular weight of 1557.93 g/mol, XLogP of 24.49, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane is sourced from PubChem (CID 139098280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).