dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride

C40H72Cl6Li2N4O2Zr2 — CID 139152450

IUPACdilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride
SMILESCC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CCOCC.CCOCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Li+].[Li+].[Zr+4].[Zr+4]
InChIInChI=1S/2C16H26N2.2C4H10O.6ClH.2Li.2Zr/c2*1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6;2*1-3-5-4-2;;;;;;;;;;/h2*7-10H,11-12H2,1-6H3;2*3-4H2,1-2H3;6*1H;;;;/q2*-2;;;;;;;;;2*+1;2*+4/p-6
InChIKeyHZVCONZNTMDXSM-UHFFFAOYSA-H
MW1050.09 g/mol
LogP-10.31
Rot. Bonds12

About dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride

dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride (PubChem CID 139152450) has the molecular formula C40H72Cl6Li2N4O2Zr2 and a molecular weight of 1050.09 g/mol. Its IUPAC name is dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride.

Molecular Properties

Compound Namedilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride
PubChem CID139152450
Molecular FormulaC40H72Cl6Li2N4O2Zr2
Molecular Weight1050.09 g/mol
Exact Mass1044.22
IUPAC Namedilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride
SMILESCC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CCOCC.CCOCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Li+].[Li+].[Zr+4].[Zr+4]
InChIInChI=1S/2C16H26N2.2C4H10O.6ClH.2Li.2Zr/c2*1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6;2*1-3-5-4-2;;;;;;;;;;/h2*7-10H,11-12H2,1-6H3;2*3-4H2,1-2H3;6*1H;;;;/q2*-2;;;;;;;;;2*+1;2*+4/p-6
InChIKeyHZVCONZNTMDXSM-UHFFFAOYSA-H
XLogP-10.31
TPSA74.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001050.09
LogP ≤ 5-10.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride?
The IUPAC name of dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride (CID 139152450) is dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride.
What is the SMILES notation for dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride?
The canonical SMILES for dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride is CC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CC(C)(C)C[N-]c1ccccc1[N-]CC(C)(C)C.CCOCC.CCOCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Li+].[Li+].[Zr+4].[Zr+4].
What is the InChIKey of dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride?
The InChIKey is HZVCONZNTMDXSM-UHFFFAOYSA-H. The full InChI is InChI=1S/2C16H26N2.2C4H10O.6ClH.2Li.2Zr/c2*1-15(2,3)11-17-13-9-7-8-10-14(13)18-12-16(4,5)6;2*1-3-5-4-2;;;;;;;;;;/h2*7-10H,11-12H2,1-6H3;2*3-4H2,1-2H3;6*1H;;;;/q2*-2;;;;;;;;;2*+1;2*+4/p-6.
What are the key properties of dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride?
dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride has a molecular weight of 1050.09 g/mol, XLogP of -10.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(2,2-dimethylpropyl-[2-(2,2-dimethylpropylazanidyl)phenyl]azanide);ethoxyethane;bis(zirconium(4+));hexachloride is sourced from PubChem (CID 139152450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).