(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))

C23H18ClNi2P+4 — CID 159210730

IUPAC(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))
SMILESClc1cccc(P(c2ccccc2)c2ccccc2)c1C1C=CC=C1.[Ni+2].[Ni+2]
InChIInChI=1S/C23H18ClP.2Ni/c24-21-16-9-17-22(23(21)18-10-7-8-11-18)25(19-12-3-1-4-13-19)20-14-5-2-6-15-20;;/h1-18H;;/q;2*+2
InChIKeyKQLQNIUMVVAWJO-UHFFFAOYSA-N
MW478.21 g/mol
LogP5.30
Rot. Bonds4

About (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))

(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)) (PubChem CID 159210730) has the molecular formula C23H18ClNi2P+4 and a molecular weight of 478.21 g/mol. Its IUPAC name is (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)).

Molecular Properties

Compound Name(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))
PubChem CID159210730
Molecular FormulaC23H18ClNi2P+4
Molecular Weight478.21 g/mol
Exact Mass475.95
IUPAC Name(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))
SMILESClc1cccc(P(c2ccccc2)c2ccccc2)c1C1C=CC=C1.[Ni+2].[Ni+2]
InChIInChI=1S/C23H18ClP.2Ni/c24-21-16-9-17-22(23(21)18-10-7-8-11-18)25(19-12-3-1-4-13-19)20-14-5-2-6-15-20;;/h1-18H;;/q;2*+2
InChIKeyKQLQNIUMVVAWJO-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.21
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))?
The IUPAC name of (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)) (CID 159210730) is (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)).
What is the SMILES notation for (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))?
The canonical SMILES for (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)) is Clc1cccc(P(c2ccccc2)c2ccccc2)c1C1C=CC=C1.[Ni+2].[Ni+2].
What is the InChIKey of (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))?
The InChIKey is KQLQNIUMVVAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClP.2Ni/c24-21-16-9-17-22(23(21)18-10-7-8-11-18)25(19-12-3-1-4-13-19)20-14-5-2-6-15-20;;/h1-18H;;/q;2*+2.
What are the key properties of (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+))?
(3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)) has a molecular weight of 478.21 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-cyclopenta-2,4-dien-1-ylphenyl)-diphenylphosphane;bis(nickel(2+)) is sourced from PubChem (CID 159210730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).