[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane

C59H47NSi2 — CID 157413450

IUPAC[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane
SMILESCc1c(-c2ccccc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H47NSi2/c1-46-57(47-26-10-2-11-27-47)59(62(53-36-20-7-21-37-53,54-38-22-8-23-39-54)55-40-24-9-25-41-55)58(48-28-12-3-13-29-48)60(46)49-42-44-56(45-43-49)61(50-30-14-4-15-31-50,51-32-16-5-17-33-51)52-34-18-6-19-35-52/h2-45H,1H3
InChIKeyBHWCCTUUMBRZPU-UHFFFAOYSA-N
MW826.20 g/mol
LogP8.87
Rot. Bonds11

About [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane

[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane (PubChem CID 157413450) has the molecular formula C59H47NSi2 and a molecular weight of 826.20 g/mol. Its IUPAC name is [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane
PubChem CID157413450
Molecular FormulaC59H47NSi2
Molecular Weight826.20 g/mol
Exact Mass825.32
IUPAC Name[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane
SMILESCc1c(-c2ccccc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C59H47NSi2/c1-46-57(47-26-10-2-11-27-47)59(62(53-36-20-7-21-37-53,54-38-22-8-23-39-54)55-40-24-9-25-41-55)58(48-28-12-3-13-29-48)60(46)49-42-44-56(45-43-49)61(50-30-14-4-15-31-50,51-32-16-5-17-33-51)52-34-18-6-19-35-52/h2-45H,1H3
InChIKeyBHWCCTUUMBRZPU-UHFFFAOYSA-N
XLogP8.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.20
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
CID 140869466
[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
CID 159315059
[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane
CID 157097721
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-[4-[4-(1,3,4,5,6,7-hexakis-phenylisoindol-2-yl)phenyl]phenyl]-1,3,4,5,6,7-hexakis-phenylisoindole
CID 58886989
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
[9-(1,9-diphenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516340
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
3,5-diphenyl-4-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,2,4-triazole
CID 58489447
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane?
The IUPAC name of [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane (CID 157413450) is [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane.
What is the SMILES notation for [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane?
The canonical SMILES for [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane is Cc1c(-c2ccccc2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane?
The InChIKey is BHWCCTUUMBRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47NSi2/c1-46-57(47-26-10-2-11-27-47)59(62(53-36-20-7-21-37-53,54-38-22-8-23-39-54)55-40-24-9-25-41-55)58(48-28-12-3-13-29-48)60(46)49-42-44-56(45-43-49)61(50-30-14-4-15-31-50,51-32-16-5-17-33-51)52-34-18-6-19-35-52/h2-45H,1H3.
What are the key properties of [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane?
[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane has a molecular weight of 826.20 g/mol, XLogP of 8.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane is sourced from PubChem (CID 157413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).