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

C45H36N2Si — CID 157097721

IUPAC[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane
SMILESCc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccn(-c3ccccc3)c2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C45H36N2Si/c1-35-43(36-20-8-2-9-21-36)47(39-24-12-4-13-25-39)44(37-32-33-46(34-37)38-22-10-3-11-23-38)45(35)48(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-34H,1H3
InChIKeyMPZPNXHORFVDLM-UHFFFAOYSA-N
MW632.88 g/mol
LogP8.29
Rot. Bonds8

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

[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane (PubChem CID 157097721) has the molecular formula C45H36N2Si and a molecular weight of 632.88 g/mol. Its IUPAC name is [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane
PubChem CID157097721
Molecular FormulaC45H36N2Si
Molecular Weight632.88 g/mol
Exact Mass632.26
IUPAC Name[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane
SMILESCc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccn(-c3ccccc3)c2)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C45H36N2Si/c1-35-43(36-20-8-2-9-21-36)47(39-24-12-4-13-25-39)44(37-32-33-46(34-37)38-22-10-3-11-23-38)45(35)48(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-34H,1H3
InChIKeyMPZPNXHORFVDLM-UHFFFAOYSA-N
XLogP8.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.88
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-(4-methylphenyl)-1,2-diphenylpyrrol-3-yl]-triphenylsilane
CID 159315059
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
diphenyl-(6-phenyl-2-pyridinyl)-(1-phenylpyrrol-3-yl)silane
CID 140814883
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
diphenyl-(1-phenylpyrrol-3-yl)-(3-pyridin-2-ylphenyl)silane
CID 140814821
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1,2,5-triphenyl-3,4-ditritylpyrrole
CID 134490296
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
3-tert-butyl-1-phenylpyrrole
CID 154132492
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
CID 10691459

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane?
The IUPAC name of [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane (CID 157097721) is [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane.
What is the SMILES notation for [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane?
The canonical SMILES for [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane is Cc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccn(-c3ccccc3)c2)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane?
The InChIKey is MPZPNXHORFVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2Si/c1-35-43(36-20-8-2-9-21-36)47(39-24-12-4-13-25-39)44(37-32-33-46(34-37)38-22-10-3-11-23-38)45(35)48(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42/h2-34H,1H3.
What are the key properties of [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane?
[4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane has a molecular weight of 632.88 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1,5-diphenyl-2-(1-phenylpyrrol-3-yl)pyrrol-3-yl]-triphenylsilane is sourced from PubChem (CID 157097721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).