bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)

C60H64N4P2Pd — CID 139101514

IUPACbis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)
SMILESCC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Pd+2]
InChIInChI=1S/2C30H32N2P.Pd/c2*1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h2*5-24H,1-4H3;/q2*-1;+2
InChIKeyKADAVJKPVNLAGU-UHFFFAOYSA-N
MW1009.57 g/mol
LogP18.07
Rot. Bonds14

About bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)

bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+) (PubChem CID 139101514) has the molecular formula C60H64N4P2Pd and a molecular weight of 1009.57 g/mol. Its IUPAC name is bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+).

Molecular Properties

Compound Namebis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)
PubChem CID139101514
Molecular FormulaC60H64N4P2Pd
Molecular Weight1009.57 g/mol
Exact Mass1008.36
IUPAC Namebis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)
SMILESCC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Pd+2]
InChIInChI=1S/2C30H32N2P.Pd/c2*1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h2*5-24H,1-4H3;/q2*-1;+2
InChIKeyKADAVJKPVNLAGU-UHFFFAOYSA-N
XLogP18.07
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.57
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium [diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide
CID 101471144
[5-[diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]pyrrol-1-id-2-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;ethene;rhodium
CID 139186699
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
diphenyl-phenylimino-propan-2-yl-lambda5-phosphane
CID 13452466
CID 160506105
CID 160506105
cumene;ethane;bis(2-methylpropane)
CID 161044029

Frequently Asked Questions

What is the IUPAC name of bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)?
The IUPAC name of bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+) (CID 139101514) is bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+).
What is the SMILES notation for bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)?
The canonical SMILES for bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+) is CC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.CC(C)c1ccc(N=P([N-]c2ccc(C(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.[Pd+2].
What is the InChIKey of bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)?
The InChIKey is KADAVJKPVNLAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32N2P.Pd/c2*1-23(2)25-15-19-27(20-16-25)31-33(29-11-7-5-8-12-29,30-13-9-6-10-14-30)32-28-21-17-26(18-22-28)24(3)4;/h2*5-24H,1-4H3;/q2*-1;+2.
What are the key properties of bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+)?
bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+) has a molecular weight of 1009.57 g/mol, XLogP of 18.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis([diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]-(4-propan-2-ylphenyl)azanide);palladium(2+) is sourced from PubChem (CID 139101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).