dibromonickel;bis(tri(propan-2-yl)phosphane)

C18H42Br2NiP2 — CID 88800949

IUPACdibromonickel;bis(tri(propan-2-yl)phosphane)
SMILESBr[Ni]Br.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C
InChIInChI=1S/2C9H21P.2BrH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;;/h2*7-9H,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyAPLALGPCNLPRBC-UHFFFAOYSA-L
MW538.98 g/mol
LogP9.08
Rot. Bonds6

About dibromonickel;bis(tri(propan-2-yl)phosphane)

dibromonickel;bis(tri(propan-2-yl)phosphane) (PubChem CID 88800949) has the molecular formula C18H42Br2NiP2 and a molecular weight of 538.98 g/mol. Its IUPAC name is dibromonickel;bis(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Namedibromonickel;bis(tri(propan-2-yl)phosphane)
PubChem CID88800949
Molecular FormulaC18H42Br2NiP2
Molecular Weight538.98 g/mol
Exact Mass536.05
IUPAC Namedibromonickel;bis(tri(propan-2-yl)phosphane)
SMILESBr[Ni]Br.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C
InChIInChI=1S/2C9H21P.2BrH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;;/h2*7-9H,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyAPLALGPCNLPRBC-UHFFFAOYSA-L
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dibromonickel;bis(tri(propan-2-yl)phosphane)?
The IUPAC name of dibromonickel;bis(tri(propan-2-yl)phosphane) (CID 88800949) is dibromonickel;bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for dibromonickel;bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for dibromonickel;bis(tri(propan-2-yl)phosphane) is Br[Ni]Br.CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.
What is the InChIKey of dibromonickel;bis(tri(propan-2-yl)phosphane)?
The InChIKey is APLALGPCNLPRBC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H21P.2BrH.Ni/c2*1-7(2)10(8(3)4)9(5)6;;;/h2*7-9H,1-6H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dibromonickel;bis(tri(propan-2-yl)phosphane)?
dibromonickel;bis(tri(propan-2-yl)phosphane) has a molecular weight of 538.98 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 88800949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).