3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole

C19H15BrSi — CID 155787252

IUPAC3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H15BrSi/c1-21(15-7-3-2-4-8-15)18-10-6-5-9-16(18)17-12-11-14(20)13-19(17)21/h2-13H,1H3
InChIKeyDZGSYDSJXHGEKR-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.53
Rot. Bonds1

About 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole

3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole (PubChem CID 155787252) has the molecular formula C19H15BrSi and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole
PubChem CID155787252
Molecular FormulaC19H15BrSi
Molecular Weight351.32 g/mol
Exact Mass350.01
IUPAC Name3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H15BrSi/c1-21(15-7-3-2-4-8-15)18-10-6-5-9-16(18)17-12-11-14(20)13-19(17)21/h2-13H,1H3
InChIKeyDZGSYDSJXHGEKR-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-p-terphenyl
CID 11012297
4-Bromo-1,1':3',1''-terphenyl
CID 14452534
2-(4-Bromophenyl)-1,1-diphenylethylene
CID 630600
1-Bromo-4-(diphenylmethyl)benzene
CID 224223
Bromo-4-(2,2-diphenyl) vinylbenzene
CID 12963255
1-bromo-4-[(E)-1,2-diphenylethenyl]benzene
CID 87184231
1,9-Dibromo-5,5-dimethylbenzo[b][1]benzosilole
CID 101791977
2-(4-Bromophenyl)ethynyl-diphenylsilane
CID 177930169
(1S)-1-[3-(4-bromophenyl)propyl]-2,3-dihydro-1H-1-benzosilole
CID 177930187
1~4~-Bromo-1~1~,2~1~:2~2~,3~1~-terphenyl
CID 22138016
((1R,2R)-4-(4-Bromophenyl)cyclopent-3-ene-1,2-diyl)dibenzene
CID 71581346
4,4'-((1R,5R)-5-Phenylcyclopent-3-ene-1,3-diyl)bis(bromobenzene)
CID 71581366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The IUPAC name of 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole (CID 155787252) is 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole.
What is the SMILES notation for 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The canonical SMILES for 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole is C[Si]1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The InChIKey is DZGSYDSJXHGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrSi/c1-21(15-7-3-2-4-8-15)18-10-6-5-9-16(18)17-12-11-14(20)13-19(17)21/h2-13H,1H3.
What are the key properties of 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole has a molecular weight of 351.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-5-phenylbenzo[b][1]benzosilole is sourced from PubChem (CID 155787252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).