dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane

C32H32N8Si2 — CID 139110631

IUPACdimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESC[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/2C16H16N4Si/c2*1-21(2,19-11-7-13-5-3-9-17-15(13)19)20-12-8-14-6-4-10-18-16(14)20/h2*3-12H,1-2H3
InChIKeyNXULPTCDBBNSMW-UHFFFAOYSA-N
MW584.84 g/mol
LogP6.97
Rot. Bonds4

About dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane

dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 139110631) has the molecular formula C32H32N8Si2 and a molecular weight of 584.84 g/mol. Its IUPAC name is dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID139110631
Molecular FormulaC32H32N8Si2
Molecular Weight584.84 g/mol
Exact Mass584.23
IUPAC Namedimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESC[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/2C16H16N4Si/c2*1-21(2,19-11-7-13-5-3-9-17-15(13)19)20-12-8-14-6-4-10-18-16(14)20/h2*3-12H,1-2H3
InChIKeyNXULPTCDBBNSMW-UHFFFAOYSA-N
XLogP6.97
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.84
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,1',1''-(1,3,5-Benzenetriyl)tris[1H-pyrrolo[2,3-b]pyridine]
CID 53433505
1-[2,4,5-Tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 5252184
[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
1-[4,6-Bis(pyrrolo[2,3-b]pyridin-1-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-b]pyridine
CID 91245339
1-(6-Pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine
CID 91435017
Bis(pyrrolo[2,3-b]pyridin-1-yl)methyl-trimethylsilane
CID 101462972
4,4-bis(N-7-azaindolyl)benzene
CID 129655540
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

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane (CID 139110631) is dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane is C[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21.C[Si](C)(n1ccc2cccnc21)n1ccc2cccnc21.
What is the InChIKey of dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is NXULPTCDBBNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N4Si/c2*1-21(2,19-11-7-13-5-3-9-17-15(13)19)20-12-8-14-6-4-10-18-16(14)20/h2*3-12H,1-2H3.
What are the key properties of dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane?
dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 584.84 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 139110631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).