1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole

C20H17ClSi — CID 156661422

IUPAC1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2Cl
InChIInChI=1S/C20H17ClSi/c1-22(2)17-11-7-6-10-16(17)19-18(22)13-12-15(20(19)21)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeySTWYDWXRCUNPES-UHFFFAOYSA-N
MW320.90 g/mol
LogP4.81
Rot. Bonds1

About 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole

1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole (PubChem CID 156661422) has the molecular formula C20H17ClSi and a molecular weight of 320.90 g/mol. Its IUPAC name is 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole
PubChem CID156661422
Molecular FormulaC20H17ClSi
Molecular Weight320.90 g/mol
Exact Mass320.08
IUPAC Name1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole
SMILESC[Si]1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2Cl
InChIInChI=1S/C20H17ClSi/c1-22(2)17-11-7-6-10-16(17)19-18(22)13-12-15(20(19)21)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeySTWYDWXRCUNPES-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.90
LogP ≤ 54.81
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

1-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787437
3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 174329879
2,4-dichloro-7,7-dimethyl-[1]benzosilolo[2,3-h]quinazoline
CID 140829135
1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
CID 168834764
3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787081
2-(5,5-dimethyl-1-phenylbenzo[b][1]benzosilol-4-yl)-4-(5,5-dimethyl-9-phenylbenzo[b][1]benzosilol-4-yl)-6-phenyl-1,3,5-triazine
CID 156661375
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 157286611
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170927900
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-8-phenyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504528
2,4-bis(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-4-yl)-6-phenyl-1,3,5-triazine
CID 156661404
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole?
The IUPAC name of 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole (CID 156661422) is 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole.
What is the SMILES notation for 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole?
The canonical SMILES for 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole is C[Si]1(C)c2ccccc2-c2c1ccc(-c1ccccc1)c2Cl.
What is the InChIKey of 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole?
The InChIKey is STWYDWXRCUNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClSi/c1-22(2)17-11-7-6-10-16(17)19-18(22)13-12-15(20(19)21)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole?
1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole has a molecular weight of 320.90 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,5-dimethyl-2-phenylbenzo[b][1]benzosilole is sourced from PubChem (CID 156661422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).