dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane

C38H59Li2N2O2P — CID 139069874

IUPACdilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane
SMILESCC(C)c1cccc(C(C)C)c1[N-]P([N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCOCC.CCOCC.[Li+].[Li+]
InChIInChI=1S/C30H39N2P.2C4H10O.2Li/c1-20(2)25-16-12-17-26(21(3)4)29(25)31-33(24-14-10-9-11-15-24)32-30-27(22(5)6)18-13-19-28(30)23(7)8;2*1-3-5-4-2;;/h9-23H,1-8H3;2*3-4H2,1-2H3;;/q-2;;;2*+1
InChIKeyDEZSHWLJVOSIBP-UHFFFAOYSA-N
MW620.76 g/mol
LogP6.62
Rot. Bonds13

About dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane

dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane (PubChem CID 139069874) has the molecular formula C38H59Li2N2O2P and a molecular weight of 620.76 g/mol. Its IUPAC name is dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane.

Molecular Properties

Compound Namedilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane
PubChem CID139069874
Molecular FormulaC38H59Li2N2O2P
Molecular Weight620.76 g/mol
Exact Mass620.46
IUPAC Namedilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane
SMILESCC(C)c1cccc(C(C)C)c1[N-]P([N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCOCC.CCOCC.[Li+].[Li+]
InChIInChI=1S/C30H39N2P.2C4H10O.2Li/c1-20(2)25-16-12-17-26(21(3)4)29(25)31-33(24-14-10-9-11-15-24)32-30-27(22(5)6)18-13-19-28(30)23(7)8;2*1-3-5-4-2;;/h9-23H,1-8H3;2*3-4H2,1-2H3;;/q-2;;;2*+1
InChIKeyDEZSHWLJVOSIBP-UHFFFAOYSA-N
XLogP6.62
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 56.62
H-Bond Donors ≤ 50
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;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane?
The IUPAC name of dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane (CID 139069874) is dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane.
What is the SMILES notation for dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane?
The canonical SMILES for dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane is CC(C)c1cccc(C(C)C)c1[N-]P([N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCOCC.CCOCC.[Li+].[Li+].
What is the InChIKey of dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane?
The InChIKey is DEZSHWLJVOSIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N2P.2C4H10O.2Li/c1-20(2)25-16-12-17-26(21(3)4)29(25)31-33(24-14-10-9-11-15-24)32-30-27(22(5)6)18-13-19-28(30)23(7)8;2*1-3-5-4-2;;/h9-23H,1-8H3;2*3-4H2,1-2H3;;/q-2;;;2*+1.
What are the key properties of dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane?
dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane has a molecular weight of 620.76 g/mol, XLogP of 6.62, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;[2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]azanidyl-phenylphosphanyl]azanide;ethoxyethane is sourced from PubChem (CID 139069874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).