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

C28H20N8Si — CID 139110628

IUPACtetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESc1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si/c1-5-21-9-17-33(25(21)29-13-1)37(34-18-10-22-6-2-14-30-26(22)34,35-19-11-23-7-3-15-31-27(23)35)36-20-12-24-8-4-16-32-28(24)36/h1-20H
InChIKeyMSHRHQVLQOQRIH-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.01
Rot. Bonds4

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

tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 139110628) has the molecular formula C28H20N8Si and a molecular weight of 496.61 g/mol. Its IUPAC name is tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Nametetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID139110628
Molecular FormulaC28H20N8Si
Molecular Weight496.61 g/mol
Exact Mass496.16
IUPAC Nametetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESc1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si/c1-5-21-9-17-33(25(21)29-13-1)37(34-18-10-22-6-2-14-30-26(22)34,35-19-11-23-7-3-15-31-27(23)35)36-20-12-24-8-4-16-32-28(24)36/h1-20H
InChIKeyMSHRHQVLQOQRIH-UHFFFAOYSA-N
XLogP5.01
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.01
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

3-(5-Cyclopropylpyrimidin-2-yl)-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine
CID 172459967
Copper 2,6,11,15,20,24,29,33,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 3649007
1,1',1''-(1,3,5-Benzenetriyl)tris[1H-pyrrolo[2,3-b]pyridine]
CID 53433505
1-(2-Pyridin-2-yl)-1h-pyrrolo[2,3-b]pyridine
CID 53986699
2,5,11,14,20,23,29,32,37,38,39,40-Dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 135979524
Copper(II) 4,4',4'',4'''-tetraaza-29H,31H-phthalocyanine
CID 16211980
1-[2-[3-(4,4-Difluoropiperidin-1-yl)azetidin-1-yl]ethyl]-6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridine
CID 152668848
1-[3-(5-Fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)butyl]-3-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine
CID 156186242
1-[2,4,5-Tris(pyrrolo[2,3-b]pyridin-1-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 5252184
1-(Pyrrolo[2,3-b]pyridin-1-ylmethyl)pyrrolo[2,3-b]pyridine
CID 12037444
1-(Pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine
CID 12037445
1-Methyl-5-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-b]pyridine
CID 12087159

Frequently Asked Questions

What is the IUPAC name of tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (CID 139110628) is tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.
What is the InChIKey of tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is MSHRHQVLQOQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8Si/c1-5-21-9-17-33(25(21)29-13-1)37(34-18-10-22-6-2-14-30-26(22)34,35-19-11-23-7-3-15-31-27(23)35)36-20-12-24-8-4-16-32-28(24)36/h1-20H.
What are the key properties of tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 496.61 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 139110628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).