lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane

C36H51LiNO3P — CID 139163814

IUPAClithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C24H27NP.3C4H8O.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;3*1-2-4-5-3-1;/h5-19H,1-4H3;3*1-4H2;/q-1;;;;+1
InChIKeyRQQFVCUIMPPISB-UHFFFAOYSA-N
MW583.72 g/mol
LogP6.38
Rot. Bonds6

About lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane

lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane (PubChem CID 139163814) has the molecular formula C36H51LiNO3P and a molecular weight of 583.72 g/mol. Its IUPAC name is lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane.

Molecular Properties

Compound Namelithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane
PubChem CID139163814
Molecular FormulaC36H51LiNO3P
Molecular Weight583.72 g/mol
Exact Mass583.38
IUPAC Namelithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C24H27NP.3C4H8O.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;3*1-2-4-5-3-1;/h5-19H,1-4H3;3*1-4H2;/q-1;;;;+1
InChIKeyRQQFVCUIMPPISB-UHFFFAOYSA-N
XLogP6.38
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane?
The IUPAC name of lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane (CID 139163814) is lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane.
What is the SMILES notation for lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane?
The canonical SMILES for lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane is C1CCOC1.C1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1[N-]P(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane?
The InChIKey is RQQFVCUIMPPISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NP.3C4H8O.Li/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;3*1-2-4-5-3-1;/h5-19H,1-4H3;3*1-4H2;/q-1;;;;+1.
What are the key properties of lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane?
lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane has a molecular weight of 583.72 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;diphenylphosphanyl-[2,6-di(propan-2-yl)phenyl]azanide;oxolane is sourced from PubChem (CID 139163814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).