chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride

C30H22Cl8N8PdSi — CID 139110635

IUPACchloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride
SMILESClC(Cl)Cl.ClC(Cl)Cl.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.[Cl-].[Pd+2]
InChIInChI=1S/C28H20ClN8Si.2CHCl3.ClH.Pd/c29-38(34-17-9-21-5-1-13-30-25(21)34,35-18-10-22-6-2-14-31-26(22)35,36-19-11-23-7-3-15-32-27(23)36)37-20-12-24-8-4-16-33-28(24)37;2*2-1(3)4;;/h1-20H;2*1H;1H;/q-1;;;;+2/p-1
InChIKeyTVEQDSMVTZCGGO-UHFFFAOYSA-M
MW912.69 g/mol
LogP6.68
Rot. Bonds4

About chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride

chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride (PubChem CID 139110635) has the molecular formula C30H22Cl8N8PdSi and a molecular weight of 912.69 g/mol. Its IUPAC name is chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride.

Molecular Properties

Compound Namechloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride
PubChem CID139110635
Molecular FormulaC30H22Cl8N8PdSi
Molecular Weight912.69 g/mol
Exact Mass907.83
IUPAC Namechloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride
SMILESClC(Cl)Cl.ClC(Cl)Cl.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.[Cl-].[Pd+2]
InChIInChI=1S/C28H20ClN8Si.2CHCl3.ClH.Pd/c29-38(34-17-9-21-5-1-13-30-25(21)34,35-18-10-22-6-2-14-31-26(22)35,36-19-11-23-7-3-15-32-27(23)36)37-20-12-24-8-4-16-33-28(24)37;2*2-1(3)4;;/h1-20H;2*1H;1H;/q-1;;;;+2/p-1
InChIKeyTVEQDSMVTZCGGO-UHFFFAOYSA-M
XLogP6.68
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.69
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride?
The IUPAC name of chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride (CID 139110635) is chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride.
What is the SMILES notation for chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride?
The canonical SMILES for chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride is ClC(Cl)Cl.ClC(Cl)Cl.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.[Cl-].[Pd+2].
What is the InChIKey of chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride?
The InChIKey is TVEQDSMVTZCGGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H20ClN8Si.2CHCl3.ClH.Pd/c29-38(34-17-9-21-5-1-13-30-25(21)34,35-18-10-22-6-2-14-31-26(22)35,36-19-11-23-7-3-15-32-27(23)36)37-20-12-24-8-4-16-33-28(24)37;2*2-1(3)4;;/h1-20H;2*1H;1H;/q-1;;;;+2/p-1.
What are the key properties of chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride?
chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride has a molecular weight of 912.69 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide;palladium(2+);chloride is sourced from PubChem (CID 139110635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).