[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol

C32H37B2N4O2Pd- — CID 162499295

IUPAC[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol
SMILESCN(C)B1B(N(C)C)N(c2ccccc2)C(=[Pd])N1c1[c-]cccc1.OC(CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21B2N4.C15H16O2.Pd/c1-20(2)18-19(21(3)4)23(17-13-9-6-10-14-17)15-22(18)16-11-7-5-8-12-16;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h5-13H,1-4H3;1-10,14-17H,11H2;/q-1;;
InChIKeyUCRQVEPTGIRHCX-UHFFFAOYSA-N
MW637.72 g/mol
LogP4.47
Rot. Bonds8

About [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol

[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol (PubChem CID 162499295) has the molecular formula C32H37B2N4O2Pd- and a molecular weight of 637.72 g/mol. Its IUPAC name is [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol.

Molecular Properties

Compound Name[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol
PubChem CID162499295
Molecular FormulaC32H37B2N4O2Pd-
Molecular Weight637.72 g/mol
Exact Mass637.21
IUPAC Name[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol
SMILESCN(C)B1B(N(C)C)N(c2ccccc2)C(=[Pd])N1c1[c-]cccc1.OC(CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21B2N4.C15H16O2.Pd/c1-20(2)18-19(21(3)4)23(17-13-9-6-10-14-17)15-22(18)16-11-7-5-8-12-16;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h5-13H,1-4H3;1-10,14-17H,11H2;/q-1;;
InChIKeyUCRQVEPTGIRHCX-UHFFFAOYSA-N
XLogP4.47
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.72
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol?
The IUPAC name of [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol (CID 162499295) is [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol.
What is the SMILES notation for [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol?
The canonical SMILES for [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol is CN(C)B1B(N(C)C)N(c2ccccc2)C(=[Pd])N1c1[c-]cccc1.OC(CC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol?
The InChIKey is UCRQVEPTGIRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21B2N4.C15H16O2.Pd/c1-20(2)18-19(21(3)4)23(17-13-9-6-10-14-17)15-22(18)16-11-7-5-8-12-16;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h5-13H,1-4H3;1-10,14-17H,11H2;/q-1;;.
What are the key properties of [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol?
[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol has a molecular weight of 637.72 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol is sourced from PubChem (CID 162499295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).