2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)

C33H42Cl4N4P2Pd2 — CID 11378020

IUPAC2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)
SMILESCN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C.Cl[Pd]Cl.Cl[Pd]Cl
InChIInChI=1S/C33H42N4P2.4ClH.2Pd/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8;;;;;;/h9-24H,25H2,1-8H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyOXJLGHGLCOGKQE-UHFFFAOYSA-J
MW911.33 g/mol
LogP8.23
Rot. Bonds10

About 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)

2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium) (PubChem CID 11378020) has the molecular formula C33H42Cl4N4P2Pd2 and a molecular weight of 911.33 g/mol. Its IUPAC name is 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium).

Molecular Properties

Compound Name2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)
PubChem CID11378020
Molecular FormulaC33H42Cl4N4P2Pd2
Molecular Weight911.33 g/mol
Exact Mass907.97
IUPAC Name2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)
SMILESCN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C.Cl[Pd]Cl.Cl[Pd]Cl
InChIInChI=1S/C33H42N4P2.4ClH.2Pd/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8;;;;;;/h9-24H,25H2,1-8H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyOXJLGHGLCOGKQE-UHFFFAOYSA-J
XLogP8.23
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.33
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)?
The IUPAC name of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium) (CID 11378020) is 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium).
What is the SMILES notation for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)?
The canonical SMILES for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium) is CN(C)c1ccccc1P(CP(c1ccccc1N(C)C)c1ccccc1N(C)C)c1ccccc1N(C)C.Cl[Pd]Cl.Cl[Pd]Cl.
What is the InChIKey of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)?
The InChIKey is OXJLGHGLCOGKQE-UHFFFAOYSA-J. The full InChI is InChI=1S/C33H42N4P2.4ClH.2Pd/c1-34(2)26-17-9-13-21-30(26)38(31-22-14-10-18-27(31)35(3)4)25-39(32-23-15-11-19-28(32)36(5)6)33-24-16-12-20-29(33)37(7)8;;;;;;/h9-24H,25H2,1-8H3;4*1H;;/q;;;;;2*+2/p-4.
What are the key properties of 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium)?
2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium) has a molecular weight of 911.33 g/mol, XLogP of 8.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;bis(dichloropalladium) is sourced from PubChem (CID 11378020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).