1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene

C38H26SSi — CID 158775804

IUPAC1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
SMILESc1ccc(-c2sc(-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26SSi/c1-4-15-27(16-5-1)37-30-21-10-11-22-31(30)38(39-37)33-24-14-26-35-36(33)32-23-12-13-25-34(32)40(35,28-17-6-2-7-18-28)29-19-8-3-9-20-29/h1-26H
InChIKeyVHIXOHNWVMARIL-UHFFFAOYSA-N
MW542.78 g/mol
LogP7.59
Rot. Bonds4

About 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene

1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene (PubChem CID 158775804) has the molecular formula C38H26SSi and a molecular weight of 542.78 g/mol. Its IUPAC name is 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene.

Molecular Properties

Compound Name1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
PubChem CID158775804
Molecular FormulaC38H26SSi
Molecular Weight542.78 g/mol
Exact Mass542.15
IUPAC Name1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
SMILESc1ccc(-c2sc(-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26SSi/c1-4-15-27(16-5-1)37-30-21-10-11-22-31(30)38(39-37)33-24-14-26-35-36(33)32-23-12-13-25-34(32)40(35,28-17-6-2-7-18-28)29-19-8-3-9-20-29/h1-26H
InChIKeyVHIXOHNWVMARIL-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.78
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 176764651
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787059
7-(3-methylphenyl)-7-phenylnaphtho[2,1-b][1]benzosilole
CID 153488383
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
9-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3,6-diphenylcarbazole
CID 153426549
17-methyl-9,9-diphenyl-9-silapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 153488377
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
8,8-diphenyl-22-oxa-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 140863420
1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 159989669
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
CID 156553424

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene?
The IUPAC name of 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene (CID 158775804) is 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene.
What is the SMILES notation for 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene?
The canonical SMILES for 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene is c1ccc(-c2sc(-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene?
The InChIKey is VHIXOHNWVMARIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26SSi/c1-4-15-27(16-5-1)37-30-21-10-11-22-31(30)38(39-37)33-24-14-26-35-36(33)32-23-12-13-25-34(32)40(35,28-17-6-2-7-18-28)29-19-8-3-9-20-29/h1-26H.
What are the key properties of 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene?
1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene has a molecular weight of 542.78 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene is sourced from PubChem (CID 158775804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).