3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole

C19H14Br2Si — CID 155787125

IUPAC3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H14Br2Si/c1-22(15-5-3-2-4-6-15)18-11-13(20)7-9-16(18)17-10-8-14(21)12-19(17)22/h2-12H,1H3
InChIKeyJYCGYNRPGJJMBO-UHFFFAOYSA-N
MW430.22 g/mol
LogP4.29
Rot. Bonds1

About 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole

3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole (PubChem CID 155787125) has the molecular formula C19H14Br2Si and a molecular weight of 430.22 g/mol. Its IUPAC name is 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole
PubChem CID155787125
Molecular FormulaC19H14Br2Si
Molecular Weight430.22 g/mol
Exact Mass427.92
IUPAC Name3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H14Br2Si/c1-22(15-5-3-2-4-6-15)18-11-13(20)7-9-16(18)17-10-8-14(21)12-19(17)22/h2-12H,1H3
InChIKeyJYCGYNRPGJJMBO-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 54.29
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

4,4''-Dibromo-p-terphenyl
CID 12455998
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
(1S)-1-[3-(4-bromophenyl)propyl]-2,3-dihydro-1H-1-benzosilole
CID 177930187
4,4''-Dibromo-1,1':3',1''-terphenyl
CID 10667976
1~4~,3~4~-Dibromo-1~1~,2~1~:2~2~,3~1~-terphenyl
CID 12715106
4,4'-Dibromo-p-terphenyl
CID 69824860
((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 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The IUPAC name of 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole (CID 155787125) is 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole.
What is the SMILES notation for 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The canonical SMILES for 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole is C[Si]1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
The InChIKey is JYCGYNRPGJJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2Si/c1-22(15-5-3-2-4-6-15)18-11-13(20)7-9-16(18)17-10-8-14(21)12-19(17)22/h2-12H,1H3.
What are the key properties of 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole?
3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole has a molecular weight of 430.22 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-5-methyl-5-phenylbenzo[b][1]benzosilole is sourced from PubChem (CID 155787125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).