hexakis(formonitrile);nickel

C6H6N6Ni — CID 174990334

IUPAChexakis(formonitrile);nickel
SMILESC#N.C#N.C#N.C#N.C#N.C#N.[Ni]
InChIInChI=1S/6CHN.Ni/c6*1-2;/h6*1H;
InChIKeyPHPBUJHAOSPRTK-UHFFFAOYSA-N
MW220.85 g/mol
LogP0.84
Rot. Bonds

About hexakis(formonitrile);nickel

hexakis(formonitrile);nickel (PubChem CID 174990334) has the molecular formula C6H6N6Ni and a molecular weight of 220.85 g/mol. Its IUPAC name is hexakis(formonitrile);nickel.

Molecular Properties

Compound Namehexakis(formonitrile);nickel
PubChem CID174990334
Molecular FormulaC6H6N6Ni
Molecular Weight220.85 g/mol
Exact Mass220.00
IUPAC Namehexakis(formonitrile);nickel
SMILESC#N.C#N.C#N.C#N.C#N.C#N.[Ni]
InChIInChI=1S/6CHN.Ni/c6*1-2;/h6*1H;
InChIKeyPHPBUJHAOSPRTK-UHFFFAOYSA-N
XLogP0.84
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.85
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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formonitrile;molybdenum
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formonitrile;hydron
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CID 173125463
CID 173125463
tetrakis(formonitrile);iron
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formonitrile;hydrochloride
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formonitrile;niobium
CID 88640099
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CID 87164485

Frequently Asked Questions

What is the IUPAC name of hexakis(formonitrile);nickel?
The IUPAC name of hexakis(formonitrile);nickel (CID 174990334) is hexakis(formonitrile);nickel.
What is the SMILES notation for hexakis(formonitrile);nickel?
The canonical SMILES for hexakis(formonitrile);nickel is C#N.C#N.C#N.C#N.C#N.C#N.[Ni].
What is the InChIKey of hexakis(formonitrile);nickel?
The InChIKey is PHPBUJHAOSPRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/6CHN.Ni/c6*1-2;/h6*1H;.
What are the key properties of hexakis(formonitrile);nickel?
hexakis(formonitrile);nickel has a molecular weight of 220.85 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(formonitrile);nickel is sourced from PubChem (CID 174990334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).