[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane

C22H34BrNOSi — CID 154706500

IUPAC[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)Oc1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)cc2Br)cc1
InChIInChI=1S/C22H34BrNOSi/c1-15(2)25-20-11-9-19(10-12-20)21-13-24(14-22(21)23)26(16(3)4,17(5)6)18(7)8/h9-18H,1-8H3
InChIKeyNNYNABDEWFOVJW-UHFFFAOYSA-N
MW436.51 g/mol
LogP7.73
Rot. Bonds7

About [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane

[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane (PubChem CID 154706500) has the molecular formula C22H34BrNOSi and a molecular weight of 436.51 g/mol. Its IUPAC name is [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
PubChem CID154706500
Molecular FormulaC22H34BrNOSi
Molecular Weight436.51 g/mol
Exact Mass435.16
IUPAC Name[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)Oc1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)cc2Br)cc1
InChIInChI=1S/C22H34BrNOSi/c1-15(2)25-20-11-9-19(10-12-20)21-13-24(14-22(21)23)26(16(3)4,17(5)6)18(7)8/h9-18H,1-8H3
InChIKeyNNYNABDEWFOVJW-UHFFFAOYSA-N
XLogP7.73
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 115404928
6-bromo-5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 115403727
5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82366029
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
ethane;4-propan-2-yloxyphenol
CID 142348653
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 55047871
3-cyclopropyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017174
7-methoxy-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179276
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
5-bromo-3-methyl-2-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 84611817

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane (CID 154706500) is [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane is CC(C)Oc1ccc(-c2cn([Si](C(C)C)(C(C)C)C(C)C)cc2Br)cc1.
What is the InChIKey of [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is NNYNABDEWFOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrNOSi/c1-15(2)25-20-11-9-19(10-12-20)21-13-24(14-22(21)23)26(16(3)4,17(5)6)18(7)8/h9-18H,1-8H3.
What are the key properties of [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane?
[3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 436.51 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(4-propan-2-yloxyphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 154706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).