ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel

C30H57NNiP2 — CID 11421495

IUPACditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Ni]
InChIInChI=1S/C18H40P2.C12H17N.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h13-14H2,1-12H3;5-9H,1-4H3;
InChIKeyHSZOLQOXWFIGAO-UHFFFAOYSA-N
MW552.43 g/mol
LogP11.44
Rot. Bonds6

About ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel

ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel (PubChem CID 11421495) has the molecular formula C30H57NNiP2 and a molecular weight of 552.43 g/mol. Its IUPAC name is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel.

Molecular Properties

Compound Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel
PubChem CID11421495
Molecular FormulaC30H57NNiP2
Molecular Weight552.43 g/mol
Exact Mass551.33
IUPAC Nameditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel
SMILESCC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Ni]
InChIInChI=1S/C18H40P2.C12H17N.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h13-14H2,1-12H3;5-9H,1-4H3;
InChIKeyHSZOLQOXWFIGAO-UHFFFAOYSA-N
XLogP11.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.43
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
ethane;(2-methyl-6-propan-2-ylphenyl)iminonickel;pyrimidine
CID 87910252
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine
CID 59318269
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
CID 177456396
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel?
The IUPAC name of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel (CID 11421495) is ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel.
What is the SMILES notation for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel?
The canonical SMILES for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel is CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Ni].
What is the InChIKey of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel?
The InChIKey is HSZOLQOXWFIGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40P2.C12H17N.Ni/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h13-14H2,1-12H3;5-9H,1-4H3;.
What are the key properties of ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel?
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel has a molecular weight of 552.43 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;[2,6-di(propan-2-yl)phenyl]iminonickel is sourced from PubChem (CID 11421495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).