bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)

C20H18Ni — CID 174807203

IUPACbis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[Ni+2].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C5H5.Ni/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1;/h1-8H;2*1-3H,4H2;/q;2*-1;+2
InChIKeyOBFFABRLQKPIQY-UHFFFAOYSA-N
MW317.06 g/mol
LogP5.45
Rot. Bonds

About bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)

bis(cyclopenta-1,3-diene);naphthalene;nickel(2+) (PubChem CID 174807203) has the molecular formula C20H18Ni and a molecular weight of 317.06 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);naphthalene;nickel(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
PubChem CID174807203
Molecular FormulaC20H18Ni
Molecular Weight317.06 g/mol
Exact Mass316.08
IUPAC Namebis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[Ni+2].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C5H5.Ni/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1;/h1-8H;2*1-3H,4H2;/q;2*-1;+2
InChIKeyOBFFABRLQKPIQY-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.06
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);naphthalene;nickel(2+) (CID 174807203) is bis(cyclopenta-1,3-diene);naphthalene;nickel(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);naphthalene;nickel(2+) is [C-]1=CC=CC1.[C-]1=CC=CC1.[Ni+2].c1ccc2ccccc2c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)?
The InChIKey is OBFFABRLQKPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C5H5.Ni/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1;/h1-8H;2*1-3H,4H2;/q;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)?
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+) has a molecular weight of 317.06 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);naphthalene;nickel(2+) is sourced from PubChem (CID 174807203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).