triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane

C46H35NSi — CID 140869466

IUPACtriphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
SMILESc1ccc(-c2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H35NSi/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)47(39-28-14-4-15-29-39)45(38-26-12-3-13-27-38)46(43)48(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35H
InChIKeyDBRROWRBCNRNIT-UHFFFAOYSA-N
MW629.88 g/mol
LogP8.86
Rot. Bonds8

About triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane

triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane (PubChem CID 140869466) has the molecular formula C46H35NSi and a molecular weight of 629.88 g/mol. Its IUPAC name is triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane.

Molecular Properties

Compound Nametriphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
PubChem CID140869466
Molecular FormulaC46H35NSi
Molecular Weight629.88 g/mol
Exact Mass629.25
IUPAC Nametriphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
SMILESc1ccc(-c2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H35NSi/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)47(39-28-14-4-15-29-39)45(38-26-12-3-13-27-38)46(43)48(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35H
InChIKeyDBRROWRBCNRNIT-UHFFFAOYSA-N
XLogP8.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.88
LogP ≤ 58.86
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

[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane
CID 157413450
[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
3,5-diphenyl-4-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,2,4-triazole
CID 58489447
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
1,2,5-triphenyl-3,4-ditritylpyrrole
CID 134490296
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
2,6,7,8,12,16,17,18-octakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131848
2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404
1,2,3-triphenylbenzo[f]indole
CID 102138150
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579

Frequently Asked Questions

What is the IUPAC name of triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane?
The IUPAC name of triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane (CID 140869466) is triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane.
What is the SMILES notation for triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane?
The canonical SMILES for triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane is c1ccc(-c2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane?
The InChIKey is DBRROWRBCNRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NSi/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)47(39-28-14-4-15-29-39)45(38-26-12-3-13-27-38)46(43)48(40-30-16-5-17-31-40,41-32-18-6-19-33-41)42-34-20-7-21-35-42/h1-35H.
What are the key properties of triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane?
triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane has a molecular weight of 629.88 g/mol, XLogP of 8.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane is sourced from PubChem (CID 140869466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).