1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)

C46H47FeNP2Pd-2 — CID 11985381

IUPAC1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)
SMILESCc1cc(C)c(/N=C/c2ccc[cH-]2)c(C)c1.[Fe].[Pd+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C15H16N.C5H5.Fe.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-11-8-12(2)15(13(3)9-11)16-10-14-6-4-5-7-14;1-2-4-5-3-1;;/h1-20H,21-22H2;4-10H,1-3H3;1-5H;;/q;-1;-5;;+2/p+2/b;16-10+;;;
InChIKeyFHPYLLCLNSUTOM-IECCDWIWSA-P
MW838.10 g/mol
LogP10.20
Rot. Bonds9

About 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)

1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+) (PubChem CID 11985381) has the molecular formula C46H47FeNP2Pd-2 and a molecular weight of 838.10 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+).

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)
PubChem CID11985381
Molecular FormulaC46H47FeNP2Pd-2
Molecular Weight838.10 g/mol
Exact Mass837.16
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)
SMILESCc1cc(C)c(/N=C/c2ccc[cH-]2)c(C)c1.[Fe].[Pd+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C15H16N.C5H5.Fe.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-11-8-12(2)15(13(3)9-11)16-10-14-6-4-5-7-14;1-2-4-5-3-1;;/h1-20H,21-22H2;4-10H,1-3H3;1-5H;;/q;-1;-5;;+2/p+2/b;16-10+;;;
InChIKeyFHPYLLCLNSUTOM-IECCDWIWSA-P
XLogP10.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.10
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
bis(2-(dimethylamino)ethyl-diphenylphosphanium);palladium(2+)
CID 6393632
CID 6397995
CID 6397995
1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
phenyl (NE)-N-[[5-[(2,4,6-trimethylphenyl)iminomethyl]-3H-pyrrol-2-yl]methylidene]sulfamate
CID 18719137
dichloroiron;(E)-N-pyridin-2-yl-1-[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methanimine
CID 20702025
dibromoiron;1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718659
dichlorocobalt;2-diphenylphosphaniumylethyl(diphenyl)phosphanium
CID 6392659
(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718686
1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
CID 23015948

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+) (CID 11985381) is 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+).
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+) is Cc1cc(C)c(/N=C/c2ccc[cH-]2)c(C)c1.[Fe].[Pd+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)?
The InChIKey is FHPYLLCLNSUTOM-IECCDWIWSA-P. The full InChI is InChI=1S/C26H24P2.C15H16N.C5H5.Fe.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-11-8-12(2)15(13(3)9-11)16-10-14-6-4-5-7-14;1-2-4-5-3-1;;/h1-20H,21-22H2;4-10H,1-3H3;1-5H;;/q;-1;-5;;+2/p+2/b;16-10+;;;.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+)?
1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+) has a molecular weight of 838.10 g/mol, XLogP of 10.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N-(2,4,6-trimethylphenyl)methanimine;cyclopentane;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;iron;palladium(2+) is sourced from PubChem (CID 11985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).