2-iodo-5,5-dimethylbenzo[b][1]benzosilole

C14H13ISi — CID 140829027

IUPAC2-iodo-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cc(I)ccc21
InChIInChI=1S/C14H13ISi/c1-16(2)13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,1-2H3
InChIKeyDLTMRODSUWLCIQ-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.09
Rot. Bonds

About 2-iodo-5,5-dimethylbenzo[b][1]benzosilole

2-iodo-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 140829027) has the molecular formula C14H13ISi and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-iodo-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name2-iodo-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID140829027
Molecular FormulaC14H13ISi
Molecular Weight336.25 g/mol
Exact Mass335.98
IUPAC Name2-iodo-5,5-dimethylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2cc(I)ccc21
InChIInChI=1S/C14H13ISi/c1-16(2)13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,1-2H3
InChIKeyDLTMRODSUWLCIQ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-iodo-5,5-dimethylbenzo[b][1]benzosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-oxophosphanium
CID 175408349
4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 171436554
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
CID 153288757
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133595
3,7-diiodo-5,5-dimethylbenzo[b][1]benzosilin-10-one
CID 140745610
5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine
CID 140720208
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 89375717
3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787081

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 2-iodo-5,5-dimethylbenzo[b][1]benzosilole (CID 140829027) is 2-iodo-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 2-iodo-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 2-iodo-5,5-dimethylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2cc(I)ccc21.
What is the InChIKey of 2-iodo-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is DLTMRODSUWLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ISi/c1-16(2)13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,1-2H3.
What are the key properties of 2-iodo-5,5-dimethylbenzo[b][1]benzosilole?
2-iodo-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 336.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 140829027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).