dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane

C46H70Li2N4O2P2+2 — CID 6396041

IUPACdilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/2C19H26N2P.2C4H8O.2Li/c2*1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18;2*1-2-4-5-3-1;;/h2*5-16,19-20H,1-4H3;2*1-4H2;;/q2*-1;;;2*+1/p+2
InChIKeyMAZYQNJRUFXJHX-UHFFFAOYSA-P
MW786.92 g/mol
LogP1.92
Rot. Bonds14

About dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane

dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane (PubChem CID 6396041) has the molecular formula C46H70Li2N4O2P2+2 and a molecular weight of 786.92 g/mol. Its IUPAC name is dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane.

Molecular Properties

Compound Namedilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane
PubChem CID6396041
Molecular FormulaC46H70Li2N4O2P2+2
Molecular Weight786.92 g/mol
Exact Mass786.53
IUPAC Namedilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane
SMILESC1CCOC1.C1CCOC1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/2C19H26N2P.2C4H8O.2Li/c2*1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18;2*1-2-4-5-3-1;;/h2*5-16,19-20H,1-4H3;2*1-4H2;;/q2*-1;;;2*+1/p+2
InChIKeyMAZYQNJRUFXJHX-UHFFFAOYSA-P
XLogP1.92
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500786.92
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane?
The IUPAC name of dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane (CID 6396041) is dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane.
What is the SMILES notation for dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane?
The canonical SMILES for dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane is C1CCOC1.C1CCOC1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.CC(C)[N-]C([NH2+]C(C)C)P(c1ccccc1)c1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane?
The InChIKey is MAZYQNJRUFXJHX-UHFFFAOYSA-P. The full InChI is InChI=1S/2C19H26N2P.2C4H8O.2Li/c2*1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18;2*1-2-4-5-3-1;;/h2*5-16,19-20H,1-4H3;2*1-4H2;;/q2*-1;;;2*+1/p+2.
What are the key properties of dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane?
dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane has a molecular weight of 786.92 g/mol, XLogP of 1.92, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis([diphenylphosphanyl-(propan-2-ylazaniumyl)methyl]-propan-2-ylazanide);oxolane is sourced from PubChem (CID 6396041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).