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

C49H35ClN14Si2 — CID 139110632

IUPACchloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCl[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si.C21H15ClN6Si/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;22-29(26-13-7-16-4-1-10-23-19(16)26,27-14-8-17-5-2-11-24-20(17)27)28-15-9-18-6-3-12-25-21(18)28/h1-20H;1-15H
InChIKeyYNZUXUPXULQYCM-UHFFFAOYSA-N
MW911.54 g/mol
LogP9.37
Rot. Bonds7

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

chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 139110632) has the molecular formula C49H35ClN14Si2 and a molecular weight of 911.54 g/mol. Its IUPAC name is chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Namechloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID139110632
Molecular FormulaC49H35ClN14Si2
Molecular Weight911.54 g/mol
Exact Mass910.24
IUPAC Namechloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCl[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21
InChIInChI=1S/C28H20N8Si.C21H15ClN6Si/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;22-29(26-13-7-16-4-1-10-23-19(16)26,27-14-8-17-5-2-11-24-20(17)27)28-15-9-18-6-3-12-25-21(18)28/h1-20H;1-15H
InChIKeyYNZUXUPXULQYCM-UHFFFAOYSA-N
XLogP9.37
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.54
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
Methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110630
Dimethyl-bis(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110631

Frequently Asked Questions

What is the IUPAC name of chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane (CID 139110632) is chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is Cl[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.c1cnc2c(c1)ccn2[Si](n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.
What is the InChIKey of chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is YNZUXUPXULQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N8Si.C21H15ClN6Si/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;22-29(26-13-7-16-4-1-10-23-19(16)26,27-14-8-17-5-2-11-24-20(17)27)28-15-9-18-6-3-12-25-21(18)28/h1-20H;1-15H.
What are the key properties of chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane?
chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 911.54 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(pyrrolo[2,3-b]pyridin-1-yl)silane;tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 139110632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).