cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel

C46H36Cl2FeNiP2+2 — CID 131728021

IUPACcyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel
SMILESC1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.ClC1=C(Cl)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.[Fe+2].[Ni]
InChIInChI=1S/C23H17Cl2P.C23H19P.Fe.Ni/c24-21-16-17-22(23(21)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;;/h1-17H;1-19H;;/q;;+2;
InChIKeyMTGNSDSUXFSZOV-UHFFFAOYSA-N
MW836.19 g/mol
LogP9.69
Rot. Bonds6

About cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel

cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel (PubChem CID 131728021) has the molecular formula C46H36Cl2FeNiP2+2 and a molecular weight of 836.19 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel
PubChem CID131728021
Molecular FormulaC46H36Cl2FeNiP2+2
Molecular Weight836.19 g/mol
Exact Mass834.04
IUPAC Namecyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel
SMILESC1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.ClC1=C(Cl)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.[Fe+2].[Ni]
InChIInChI=1S/C23H17Cl2P.C23H19P.Fe.Ni/c24-21-16-17-22(23(21)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;;/h1-17H;1-19H;;/q;;+2;
InChIKeyMTGNSDSUXFSZOV-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.19
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel with MolForge

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Related Compounds

cyclopenta-2,4-dien-1-ylidene-iodo-diphenyl-λ5-phosphane
CID 174339767
N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 126419240
dichloromethane;tetrakis(triphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane)
CID 139094416
cyclopenta-2,4-dien-1-ylidene-(2-diphenylphosphanylethyl)-diphenyl-λ5-phosphane
CID 23414387
[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
CID 149077573
16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaenylidene(triphenyl)-λ5-phosphane
CID 90471434
2-[3-(triphenyl-λ5-phosphanylidene)cyclopenta-1,4-dien-1-yl]ethene-1,1,2-tricarbonitrile
CID 139090481
4,6-bis(triphenyl-λ5-phosphanylidene)cyclohexane-1,2,3,5-tetrone
CID 132604508
5-phenyl-3-(triphenyl-λ5-phosphanylidene)oxolane-2,4-dione
CID 102146134
chloro-(triphenyl-lambda5-phosphanylidene)rhodium
CID 3246567
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
benzene;chlorobenzene
CID 159657667

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel (CID 131728021) is cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel is C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.ClC1=C(Cl)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.[Fe+2].[Ni].
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel?
The InChIKey is MTGNSDSUXFSZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2P.C23H19P.Fe.Ni/c24-21-16-17-22(23(21)25)26(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;;/h1-17H;1-19H;;/q;;+2;.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel?
cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel has a molecular weight of 836.19 g/mol, XLogP of 9.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene(triphenyl)-λ5-phosphane;(2,3-dichlorocyclopenta-2,4-dien-1-ylidene)-triphenyl-λ5-phosphane;iron(2+);nickel is sourced from PubChem (CID 131728021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).