zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)

C22H50N2P2Se2Zn — CID 139044867

IUPACzinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)
SMILESCC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.[Zn+2]
InChIInChI=1S/2C11H25NPSe.Zn/c2*1-9(2)12-13(14,10(3,4)5)11(6,7)8;/h2*9H,1-8H3;/q2*-1;+2
InChIKeyJEBKTDHCCFOSOB-UHFFFAOYSA-N
MW627.91 g/mol
LogP8.55
Rot. Bonds2

About zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)

zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane) (PubChem CID 139044867) has the molecular formula C22H50N2P2Se2Zn and a molecular weight of 627.91 g/mol. Its IUPAC name is zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane).

Molecular Properties

Compound Namezinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)
PubChem CID139044867
Molecular FormulaC22H50N2P2Se2Zn
Molecular Weight627.91 g/mol
Exact Mass628.11
IUPAC Namezinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)
SMILESCC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.[Zn+2]
InChIInChI=1S/2C11H25NPSe.Zn/c2*1-9(2)12-13(14,10(3,4)5)11(6,7)8;/h2*9H,1-8H3;/q2*-1;+2
InChIKeyJEBKTDHCCFOSOB-UHFFFAOYSA-N
XLogP8.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.91
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trichloro(propan-2-ylimino)-λ5-phosphane
CID 101200111
CID 14219066
CID 14219066
3-(dimethylamino)-3-methylbutan-2-ol
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tert-butyloxidanium
CID 59258481
CID 5462981
CID 5462981
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
CID 83148345
propan-2-yl-[2-[2-(propan-2-yldiazenyl)propan-2-yloxy]propan-2-yl]diazene
CID 152749266
2-di(propan-2-yl)phosphanylpropan-2-yl-di(propan-2-yl)phosphane
CID 89346513
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
CID 12607553
CID 12607553
2,3-dimethylbutan-2-yloxy(oxo)phosphanium;titanium
CID 157296443

Frequently Asked Questions

What is the IUPAC name of zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)?
The IUPAC name of zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane) (CID 139044867) is zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane).
What is the SMILES notation for zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)?
The canonical SMILES for zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane) is CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.CC(C)N=P([Se-])(C(C)(C)C)C(C)(C)C.[Zn+2].
What is the InChIKey of zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)?
The InChIKey is JEBKTDHCCFOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H25NPSe.Zn/c2*1-9(2)12-13(14,10(3,4)5)11(6,7)8;/h2*9H,1-8H3;/q2*-1;+2.
What are the key properties of zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane)?
zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane) has a molecular weight of 627.91 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(ditert-butyl-propan-2-ylimino-selenido-λ5-phosphane) is sourced from PubChem (CID 139044867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).