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

C30H23N9Si — CID 139110629

IUPACacetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC#N.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si.C2H3N/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;1-2-3/h1-20H;1H3
InChIKeyUXYNNLDFYPRXEH-UHFFFAOYSA-N
MW537.66 g/mol
LogP5.54
Rot. Bonds4

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

acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 139110629) has the molecular formula C30H23N9Si and a molecular weight of 537.66 g/mol. Its IUPAC name is acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Nameacetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID139110629
Molecular FormulaC30H23N9Si
Molecular Weight537.66 g/mol
Exact Mass537.18
IUPAC Nameacetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC#N.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si.C2H3N/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;1-2-3/h1-20H;1H3
InChIKeyUXYNNLDFYPRXEH-UHFFFAOYSA-N
XLogP5.54
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
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-[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
[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-[2,4,5-tris(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 91126471
1-[4,6-Bis(pyrrolo[2,3-b]pyridin-1-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-b]pyridine
CID 91245339

Frequently Asked Questions

What is the IUPAC name of acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (CID 139110629) is acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is CC#N.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.
What is the InChIKey of acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is UXYNNLDFYPRXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8Si.C2H3N/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;1-2-3/h1-20H;1H3.
What are the key properties of acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 537.66 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 139110629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).