[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane

C42H35NSi — CID 159315059

IUPAC[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
SMILESCc1ccc(-c2c(C)c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C42H35NSi/c1-32-28-30-35(31-29-32)40-33(2)42(41(34-18-8-3-9-19-34)43(40)36-20-10-4-11-21-36)44(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-31H,1-2H3
InChIKeyQKQJBDAMLOVWIH-UHFFFAOYSA-N
MW581.84 g/mol
LogP7.81
Rot. Bonds7

About [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane

[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane (PubChem CID 159315059) has the molecular formula C42H35NSi and a molecular weight of 581.84 g/mol. Its IUPAC name is [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
PubChem CID159315059
Molecular FormulaC42H35NSi
Molecular Weight581.84 g/mol
Exact Mass581.25
IUPAC Name[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
SMILESCc1ccc(-c2c(C)c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C42H35NSi/c1-32-28-30-35(31-29-32)40-33(2)42(41(34-18-8-3-9-19-34)43(40)36-20-10-4-11-21-36)44(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-31H,1-2H3
InChIKeyQKQJBDAMLOVWIH-UHFFFAOYSA-N
XLogP7.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.84
LogP ≤ 57.81
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

[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane
CID 157097721
triphenyl-(1,2,4,5-tetraphenylpyrrol-3-yl)silane
CID 140869466
[5-methyl-2,4-diphenyl-1-(4-triphenylsilylphenyl)pyrrol-3-yl]-triphenylsilane
CID 157413450
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,4-triphenyl-5-[4-[(E)-prop-1-enyl]phenyl]pyrrole
CID 166512404
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane?
The IUPAC name of [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane (CID 159315059) is [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane.
What is the SMILES notation for [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane?
The canonical SMILES for [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane is Cc1ccc(-c2c(C)c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane?
The InChIKey is QKQJBDAMLOVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35NSi/c1-32-28-30-35(31-29-32)40-33(2)42(41(34-18-8-3-9-19-34)43(40)36-20-10-4-11-21-36)44(37-22-12-5-13-23-37,38-24-14-6-15-25-38)39-26-16-7-17-27-39/h3-31H,1-2H3.
What are the key properties of [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane?
[4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane has a molecular weight of 581.84 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane is sourced from PubChem (CID 159315059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).