methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane

C44H36N12Si2 — CID 139110630

IUPACmethyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESC[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/2C22H18N6Si/c2*1-29(26-14-8-17-5-2-11-23-20(17)26,27-15-9-18-6-3-12-24-21(18)27)28-16-10-19-7-4-13-25-22(19)28/h2*2-16H,1H3
InChIKeyRLIJQIXPRVKFNX-UHFFFAOYSA-N
MW789.03 g/mol
LogP8.50
Rot. Bonds6

About methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane

methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 139110630) has the molecular formula C44H36N12Si2 and a molecular weight of 789.03 g/mol. Its IUPAC name is methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Namemethyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID139110630
Molecular FormulaC44H36N12Si2
Molecular Weight789.03 g/mol
Exact Mass788.27
IUPAC Namemethyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESC[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/2C22H18N6Si/c2*1-29(26-14-8-17-5-2-11-23-20(17)26,27-15-9-18-6-3-12-24-21(18)27)28-16-10-19-7-4-13-25-22(19)28/h2*2-16H,1H3
InChIKeyRLIJQIXPRVKFNX-UHFFFAOYSA-N
XLogP8.50
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.03
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]-[(E)-2-[4-[(E)-2-[[3,5-bis(pyrrolo[2,3-b]pyridin-1-yl)phenyl]-dimethylsilyl]ethenyl]phenyl]ethenyl]-dimethylsilane
CID 12138279
3-[4-[2,3,4,5,6-pentakis[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]phenyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90855440
1-[4,6-Bis(pyrrolo[2,3-b]pyridin-1-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-b]pyridine
CID 91245339
Bis(pyrrolo[2,3-b]pyridin-1-yl)methyl-trimethylsilane
CID 101462972
1-[4-[2,3,4,5,6-Pentakis(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)phenyl]phenyl]pyrrolo[2,3-b]pyridine
CID 102210194
Tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
CID 138972796
Tetrazinc;ethoxyethane;oxygen(2-);pyrrolo[2,3-b]pyridin-7a-ide;pentakis(pyrrolo[2,3-b]pyridin-1-ide)
CID 139045435
2,6-Bis(azaindole)pyridine
CID 139060230
Tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110628
Acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110629
Dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110631
Chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110632

Frequently Asked Questions

What is the IUPAC name of methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane (CID 139110630) is methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane is C[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.
What is the InChIKey of methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is RLIJQIXPRVKFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N6Si/c2*1-29(26-14-8-17-5-2-11-23-20(17)26,27-15-9-18-6-3-12-24-21(18)27)28-16-10-19-7-4-13-25-22(19)28/h2*2-16H,1H3.
What are the key properties of methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane?
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 789.03 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 139110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).