(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)

C35H39N2Pd+ — CID 138970388

IUPAC(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)
SMILESCCc1cccc(CC)c1N1[CH-]N(c2c(CC)cccc2CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[Pd+2]
InChIInChI=1S/C35H39N2.Pd/c1-5-26-21-15-22-27(6-2)32(26)36-25-37(33-28(7-3)23-16-24-29(33)8-4)35(31-19-13-10-14-20-31)34(36)30-17-11-9-12-18-30;/h9-25,34-35H,5-8H2,1-4H3;/q-1;+2/t34-,35-;/m1./s1
InChIKeyVJJOZCKNODUTOC-SWIBWIMJSA-N
MW594.13 g/mol
LogP8.86
Rot. Bonds8

About (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)

(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+) (PubChem CID 138970388) has the molecular formula C35H39N2Pd+ and a molecular weight of 594.13 g/mol. Its IUPAC name is (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+).

Molecular Properties

Compound Name(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)
PubChem CID138970388
Molecular FormulaC35H39N2Pd+
Molecular Weight594.13 g/mol
Exact Mass593.21
IUPAC Name(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)
SMILESCCc1cccc(CC)c1N1[CH-]N(c2c(CC)cccc2CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[Pd+2]
InChIInChI=1S/C35H39N2.Pd/c1-5-26-21-15-22-27(6-2)32(26)36-25-37(33-28(7-3)23-16-24-29(33)8-4)35(31-19-13-10-14-20-31)34(36)30-17-11-9-12-18-30;/h9-25,34-35H,5-8H2,1-4H3;/q-1;+2/t34-,35-;/m1./s1
InChIKeyVJJOZCKNODUTOC-SWIBWIMJSA-N
XLogP8.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.13
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)?
The IUPAC name of (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+) (CID 138970388) is (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+).
What is the SMILES notation for (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)?
The canonical SMILES for (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+) is CCc1cccc(CC)c1N1[CH-]N(c2c(CC)cccc2CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[Pd+2].
What is the InChIKey of (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)?
The InChIKey is VJJOZCKNODUTOC-SWIBWIMJSA-N. The full InChI is InChI=1S/C35H39N2.Pd/c1-5-26-21-15-22-27(6-2)32(26)36-25-37(33-28(7-3)23-16-24-29(33)8-4)35(31-19-13-10-14-20-31)34(36)30-17-11-9-12-18-30;/h9-25,34-35H,5-8H2,1-4H3;/q-1;+2/t34-,35-;/m1./s1.
What are the key properties of (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+)?
(4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+) has a molecular weight of 594.13 g/mol, XLogP of 8.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis(2,6-diethylphenyl)-4,5-diphenylimidazolidin-2-ide;palladium(2+) is sourced from PubChem (CID 138970388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).