azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane

C17H18N3NiP — CID 164674018

IUPACazanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane
SMILESN#C[C@]1(Cc2ccccc2)Cc2ccccc2C1=[N-].P.[NH2-].[Ni+2]
InChIInChI=1S/C17H13N2.H2N.Ni.H3P/c18-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16(17)19;;;/h1-9H,10-11H2;1H2;;1H3/q2*-1;+2;/t17-;;;/m0.../s1
InChIKeyGNSWYCWSWRJZIW-FCQHKQNSSA-N
MW354.02 g/mol
LogP4.13
Rot. Bonds2

About azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane

azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane (PubChem CID 164674018) has the molecular formula C17H18N3NiP and a molecular weight of 354.02 g/mol. Its IUPAC name is azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane.

Molecular Properties

Compound Nameazanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane
PubChem CID164674018
Molecular FormulaC17H18N3NiP
Molecular Weight354.02 g/mol
Exact Mass353.06
IUPAC Nameazanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane
SMILESN#C[C@]1(Cc2ccccc2)Cc2ccccc2C1=[N-].P.[NH2-].[Ni+2]
InChIInChI=1S/C17H13N2.H2N.Ni.H3P/c18-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16(17)19;;;/h1-9H,10-11H2;1H2;;1H3/q2*-1;+2;/t17-;;;/m0.../s1
InChIKeyGNSWYCWSWRJZIW-FCQHKQNSSA-N
XLogP4.13
TPSA79.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.02
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane?
The IUPAC name of azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane (CID 164674018) is azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane.
What is the SMILES notation for azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane?
The canonical SMILES for azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane is N#C[C@]1(Cc2ccccc2)Cc2ccccc2C1=[N-].P.[NH2-].[Ni+2].
What is the InChIKey of azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane?
The InChIKey is GNSWYCWSWRJZIW-FCQHKQNSSA-N. The full InChI is InChI=1S/C17H13N2.H2N.Ni.H3P/c18-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16(17)19;;;/h1-9H,10-11H2;1H2;;1H3/q2*-1;+2;/t17-;;;/m0.../s1.
What are the key properties of azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane?
azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane has a molecular weight of 354.02 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;[(2R)-2-benzyl-2-cyano-3H-inden-1-ylidene]azanide;nickel(2+);phosphane is sourced from PubChem (CID 164674018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).