2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium

C34H36Cl2N2Pd — CID 139240981

IUPAC2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium
SMILESCC(=N\c1ccc(C)cc1C(C)c1ccccc1)/C(C)=N/c1ccc(C)cc1C(C)c1ccccc1.Cl[Pd]Cl
InChIInChI=1S/C34H36N2.2ClH.Pd/c1-23-17-19-33(31(21-23)25(3)29-13-9-7-10-14-29)35-27(5)28(6)36-34-20-18-24(2)22-32(34)26(4)30-15-11-8-12-16-30;;;/h7-22,25-26H,1-6H3;2*1H;/q;;;+2/p-2/b35-27+,36-28+;;;
InChIKeyRBOBBXKVGJBRDC-OHBQAROBSA-L
MW650.00 g/mol
LogP10.87
Rot. Bonds7

About 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium

2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium (PubChem CID 139240981) has the molecular formula C34H36Cl2N2Pd and a molecular weight of 650.00 g/mol. Its IUPAC name is 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium.

Molecular Properties

Compound Name2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium
PubChem CID139240981
Molecular FormulaC34H36Cl2N2Pd
Molecular Weight650.00 g/mol
Exact Mass648.13
IUPAC Name2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium
SMILESCC(=N\c1ccc(C)cc1C(C)c1ccccc1)/C(C)=N/c1ccc(C)cc1C(C)c1ccccc1.Cl[Pd]Cl
InChIInChI=1S/C34H36N2.2ClH.Pd/c1-23-17-19-33(31(21-23)25(3)29-13-9-7-10-14-29)35-27(5)28(6)36-34-20-18-24(2)22-32(34)26(4)30-15-11-8-12-16-30;;;/h7-22,25-26H,1-6H3;2*1H;/q;;;+2/p-2/b35-27+,36-28+;;;
InChIKeyRBOBBXKVGJBRDC-OHBQAROBSA-L
XLogP10.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.00
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis[4-fluoro-2-(1-phenylethyl)phenyl]butane-2,3-diimine;ethane;palladium(2+)
CID 139240473
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
3-N-(2-benzhydryl-4-methylphenyl)-2-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 176916207
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
CID 59919412
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium?
The IUPAC name of 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium (CID 139240981) is 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium.
What is the SMILES notation for 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium?
The canonical SMILES for 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium is CC(=N\c1ccc(C)cc1C(C)c1ccccc1)/C(C)=N/c1ccc(C)cc1C(C)c1ccccc1.Cl[Pd]Cl.
What is the InChIKey of 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium?
The InChIKey is RBOBBXKVGJBRDC-OHBQAROBSA-L. The full InChI is InChI=1S/C34H36N2.2ClH.Pd/c1-23-17-19-33(31(21-23)25(3)29-13-9-7-10-14-29)35-27(5)28(6)36-34-20-18-24(2)22-32(34)26(4)30-15-11-8-12-16-30;;;/h7-22,25-26H,1-6H3;2*1H;/q;;;+2/p-2/b35-27+,36-28+;;;.
What are the key properties of 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium?
2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium has a molecular weight of 650.00 g/mol, XLogP of 10.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[4-methyl-2-(1-phenylethyl)phenyl]butane-2,3-diimine;dichloropalladium is sourced from PubChem (CID 139240981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).