diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)

C30H22N4PtSi — CID 58704230

IUPACdiphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2cccn2)cccc1[Si](c1[c-]c(-n2cccn2)ccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N4Si.Pt/c1-3-13-27(14-4-1)35(28-15-5-2-6-16-28,29-17-7-11-25(23-29)33-21-9-19-31-33)30-18-8-12-26(24-30)34-22-10-20-32-34;/h1-22H;/q-2;+2
InChIKeyRHXWYDAEYRLEKE-UHFFFAOYSA-N
MW661.70 g/mol
LogP3.03
Rot. Bonds6

About diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)

diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+) (PubChem CID 58704230) has the molecular formula C30H22N4PtSi and a molecular weight of 661.70 g/mol. Its IUPAC name is diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+).

Molecular Properties

Compound Namediphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)
PubChem CID58704230
Molecular FormulaC30H22N4PtSi
Molecular Weight661.70 g/mol
Exact Mass661.13
IUPAC Namediphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)
SMILES[Pt+2].[c-]1c(-n2cccn2)cccc1[Si](c1[c-]c(-n2cccn2)ccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22N4Si.Pt/c1-3-13-27(14-4-1)35(28-15-5-2-6-16-28,29-17-7-11-25(23-29)33-21-9-19-31-33)30-18-8-12-26(24-30)34-22-10-20-32-34;/h1-22H;/q-2;+2
InChIKeyRHXWYDAEYRLEKE-UHFFFAOYSA-N
XLogP3.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.70
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)?
The IUPAC name of diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+) (CID 58704230) is diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+).
What is the SMILES notation for diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)?
The canonical SMILES for diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+) is [Pt+2].[c-]1c(-n2cccn2)cccc1[Si](c1[c-]c(-n2cccn2)ccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)?
The InChIKey is RHXWYDAEYRLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4Si.Pt/c1-3-13-27(14-4-1)35(28-15-5-2-6-16-28,29-17-7-11-25(23-29)33-21-9-19-31-33)30-18-8-12-26(24-30)34-22-10-20-32-34;/h1-22H;/q-2;+2.
What are the key properties of diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+)?
diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+) has a molecular weight of 661.70 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum(2+) is sourced from PubChem (CID 58704230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).