ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide

C31H41BN6Pt — CID 139105368

IUPACethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESCCc1ccccc1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH2-]Cc1[c-]cccc1.[H-].[Pt+4]
InChIInChI=1S/C15H22BN6.C8H10.C8H8.Pt.H/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2*1-2-8-6-4-3-5-7-8;;/h7-9,16H,1-6H3;3-7H,2H2,1H3;3-6H,1-2H2;;/q-1;;-2;+4;-1
InChIKeyRHDJMYVDMHUCJE-UHFFFAOYSA-N
MW703.60 g/mol
LogP6.01
Rot. Bonds5

About ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide

ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide (PubChem CID 139105368) has the molecular formula C31H41BN6Pt and a molecular weight of 703.60 g/mol. Its IUPAC name is ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide.

Molecular Properties

Compound Nameethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide
PubChem CID139105368
Molecular FormulaC31H41BN6Pt
Molecular Weight703.60 g/mol
Exact Mass703.31
IUPAC Nameethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide
SMILESCCc1ccccc1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH2-]Cc1[c-]cccc1.[H-].[Pt+4]
InChIInChI=1S/C15H22BN6.C8H10.C8H8.Pt.H/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2*1-2-8-6-4-3-5-7-8;;/h7-9,16H,1-6H3;3-7H,2H2,1H3;3-6H,1-2H2;;/q-1;;-2;+4;-1
InChIKeyRHDJMYVDMHUCJE-UHFFFAOYSA-N
XLogP6.01
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
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 ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The IUPAC name of ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide (CID 139105368) is ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide.
What is the SMILES notation for ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The canonical SMILES for ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide is CCc1ccccc1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.[CH2-]Cc1[c-]cccc1.[H-].[Pt+4].
What is the InChIKey of ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
The InChIKey is RHDJMYVDMHUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN6.C8H10.C8H8.Pt.H/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2*1-2-8-6-4-3-5-7-8;;/h7-9,16H,1-6H3;3-7H,2H2,1H3;3-6H,1-2H2;;/q-1;;-2;+4;-1.
What are the key properties of ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide?
ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide has a molecular weight of 703.60 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;ethylbenzene;hydride;platinum(4+);tris(3,5-dimethylpyrazol-1-yl)boranuide is sourced from PubChem (CID 139105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).