(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol

C20H27B2N2O2Pt- — CID 162499312

IUPAC(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol
SMILESCB1B(C)N(c2ccccc2)C(=[Pt])N1c1[c-]cccc1.CC(O)CC(C)O
InChIInChI=1S/C15H15B2N2.C5H12O2.Pt/c1-16-17(2)19(15-11-7-4-8-12-15)13-18(16)14-9-5-3-6-10-14;1-4(6)3-5(2)7;/h3-11H,1-2H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyDEIKURCPICIJAC-UHFFFAOYSA-N
MW544.15 g/mol
LogP2.91
Rot. Bonds4

About (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol

(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol (PubChem CID 162499312) has the molecular formula C20H27B2N2O2Pt- and a molecular weight of 544.15 g/mol. Its IUPAC name is (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol.

Molecular Properties

Compound Name(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol
PubChem CID162499312
Molecular FormulaC20H27B2N2O2Pt-
Molecular Weight544.15 g/mol
Exact Mass544.19
IUPAC Name(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol
SMILESCB1B(C)N(c2ccccc2)C(=[Pt])N1c1[c-]cccc1.CC(O)CC(C)O
InChIInChI=1S/C15H15B2N2.C5H12O2.Pt/c1-16-17(2)19(15-11-7-4-8-12-15)13-18(16)14-9-5-3-6-10-14;1-4(6)3-5(2)7;/h3-11H,1-2H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyDEIKURCPICIJAC-UHFFFAOYSA-N
XLogP2.91
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.15
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol
CID 162499240
[2,3-bis(4-dibenzothiophen-4-ylphenyl)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol
CID 162499221
[2,3-bis(dimethylamino)-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene]palladium;1,3-diphenylpropane-1,3-diol
CID 162499295
4,5-diphenyl-3-phenyl-1,2,4-triazole;iridium;pentane-2,4-diol
CID 59512739
diphenylmethylbenzene;palladium(2+);pentane-2,4-diol
CID 5231750
[2,3-bis(dimethylamino)-1-(4-pyrimidin-5-ylbenzene-6-id-1-yl)-4-(4-pyrimidin-5-ylphenyl)-1,4,2,3-diazadiborolidin-5-ylidene]platinum;pentane-2,4-diol
CID 162499326
pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum
CID 59512705
3,4-diphenyl-5-propan-2-yl-1,2,4-triazole;bis(iridium);methane;pentane-2,4-diol;4-phenyl-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 159097037
4-phenylheptane-2,6-diol
CID 173150769
iridium;pentane-2,4-diol;3-(5-phenyl-3-phenyl-1,2,4-triazol-4-yl)pyridine
CID 59512716
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrimidine
CID 158783712
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol?
The IUPAC name of (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol (CID 162499312) is (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol.
What is the SMILES notation for (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol?
The canonical SMILES for (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol is CB1B(C)N(c2ccccc2)C(=[Pt])N1c1[c-]cccc1.CC(O)CC(C)O.
What is the InChIKey of (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol?
The InChIKey is DEIKURCPICIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15B2N2.C5H12O2.Pt/c1-16-17(2)19(15-11-7-4-8-12-15)13-18(16)14-9-5-3-6-10-14;1-4(6)3-5(2)7;/h3-11H,1-2H3;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol?
(2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol has a molecular weight of 544.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4-phenyl-1-phenyl-1,4,2,3-diazadiborolidin-5-ylidene)platinum;pentane-2,4-diol is sourced from PubChem (CID 162499312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).