(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane

C20H31NSi — CID 10870722

IUPAC(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane
SMILESCc1cn([Si](C(C)C)(C(C)C)C(C)C)cc1-c1ccccc1
InChIInChI=1S/C20H31NSi/c1-15(2)22(16(3)4,17(5)6)21-13-18(7)20(14-21)19-11-9-8-10-12-19/h8-17H,1-7H3
InChIKeyLHBJSSQDPRACSC-UHFFFAOYSA-N
MW313.56 g/mol
LogP6.49
Rot. Bonds5

About (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane

(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane (PubChem CID 10870722) has the molecular formula C20H31NSi and a molecular weight of 313.56 g/mol. Its IUPAC name is (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane
PubChem CID10870722
Molecular FormulaC20H31NSi
Molecular Weight313.56 g/mol
Exact Mass313.22
IUPAC Name(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane
SMILESCc1cn([Si](C(C)C)(C(C)C)C(C)C)cc1-c1ccccc1
InChIInChI=1S/C20H31NSi/c1-15(2)22(16(3)4,17(5)6)21-13-18(7)20(14-21)19-11-9-8-10-12-19/h8-17H,1-7H3
InChIKeyLHBJSSQDPRACSC-UHFFFAOYSA-N
XLogP6.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.56
LogP ≤ 56.49
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

trimethyl-[4-methyl-1-tri(propan-2-yl)silylpyrrol-3-yl]silane
CID 10686346
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
2,3,6-trimethyl-5-phenylpyridine
CID 102473268
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
3,4-diphenyl-1-(4-propan-2-ylphenyl)pyrrole
CID 102125597
2-(2,6-dimethyl-3-phenylphenyl)sulfanyl-1,3-dimethyl-4-phenylbenzene
CID 67159644
2,5-dimethyl-4-phenylpyridine
CID 603086

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane (CID 10870722) is (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane is Cc1cn([Si](C(C)C)(C(C)C)C(C)C)cc1-c1ccccc1.
What is the InChIKey of (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane?
The InChIKey is LHBJSSQDPRACSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NSi/c1-15(2)22(16(3)4,17(5)6)21-13-18(7)20(14-21)19-11-9-8-10-12-19/h8-17H,1-7H3.
What are the key properties of (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane?
(3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane has a molecular weight of 313.56 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylpyrrol-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 10870722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).