dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline

C17H28Cl2NNiP — CID 158194870

IUPACdichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline
SMILESCC(C)P(C=CCc1ccc(N(C)C)cc1)C(C)C.Cl[Ni]Cl
InChIInChI=1S/C17H28NP.2ClH.Ni/c1-14(2)19(15(3)4)13-7-8-16-9-11-17(12-10-16)18(5)6;;;/h7,9-15H,8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyGAFJFNJOTNNXBX-UHFFFAOYSA-L
MW406.99 g/mol
LogP6.48
Rot. Bonds6

About dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline

dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline (PubChem CID 158194870) has the molecular formula C17H28Cl2NNiP and a molecular weight of 406.99 g/mol. Its IUPAC name is dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Namedichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline
PubChem CID158194870
Molecular FormulaC17H28Cl2NNiP
Molecular Weight406.99 g/mol
Exact Mass405.07
IUPAC Namedichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline
SMILESCC(C)P(C=CCc1ccc(N(C)C)cc1)C(C)C.Cl[Ni]Cl
InChIInChI=1S/C17H28NP.2ClH.Ni/c1-14(2)19(15(3)4)13-7-8-16-9-11-17(12-10-16)18(5)6;;;/h7,9-15H,8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyGAFJFNJOTNNXBX-UHFFFAOYSA-L
XLogP6.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.99
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline?
The IUPAC name of dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline (CID 158194870) is dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline.
What is the SMILES notation for dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline?
The canonical SMILES for dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline is CC(C)P(C=CCc1ccc(N(C)C)cc1)C(C)C.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline?
The InChIKey is GAFJFNJOTNNXBX-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H28NP.2ClH.Ni/c1-14(2)19(15(3)4)13-7-8-16-9-11-17(12-10-16)18(5)6;;;/h7,9-15H,8H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline?
dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline has a molecular weight of 406.99 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;4-[3-di(propan-2-yl)phosphanylprop-2-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 158194870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).