(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane

C22H27NSi — CID 11110405

IUPAC(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane
SMILESCCCn1cc([Si](C)(C)C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H27NSi/c1-5-16-23-17-20(24(2,3)4)21(18-12-8-6-9-13-18)22(23)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyAQWJBMMCRVPFRQ-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.78
Rot. Bonds5

About (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane

(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane (PubChem CID 11110405) has the molecular formula C22H27NSi and a molecular weight of 333.55 g/mol. Its IUPAC name is (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane
PubChem CID11110405
Molecular FormulaC22H27NSi
Molecular Weight333.55 g/mol
Exact Mass333.19
IUPAC Name(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane
SMILESCCCn1cc([Si](C)(C)C)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H27NSi/c1-5-16-23-17-20(24(2,3)4)21(18-12-8-6-9-13-18)22(23)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyAQWJBMMCRVPFRQ-UHFFFAOYSA-N
XLogP5.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
trimethyl-(5,6,7,8-tetraphenyl-3-trimethylsilylnaphthalen-2-yl)silane
CID 86091759
trimethyl-(5-phenyl-2-propylfuran-3-yl)silane
CID 13213321
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
(5-hexyl-2,3-diphenylphenyl)-trimethylsilane
CID 102204410
2-phenyl-4-(3-phenylpropyl)-1-propylimidazole
CID 69389912
(2-butoxyphenyl)-trimethylsilane
CID 123527400
trimethyl-(4,5,6-triphenylpyrimidin-2-yl)silane
CID 174068542
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
azane;1-methyl-5-phenyl-4-propyltriazole
CID 174693231
3-propylquinazolin-4-one
CID 529124

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane?
The IUPAC name of (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane (CID 11110405) is (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane.
What is the SMILES notation for (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane?
The canonical SMILES for (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane is CCCn1cc([Si](C)(C)C)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane?
The InChIKey is AQWJBMMCRVPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NSi/c1-5-16-23-17-20(24(2,3)4)21(18-12-8-6-9-13-18)22(23)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3.
What are the key properties of (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane?
(4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane has a molecular weight of 333.55 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-1-propylpyrrol-3-yl)-trimethylsilane is sourced from PubChem (CID 11110405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).