5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene

C34H26S2Si — CID 122365519

IUPAC5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
SMILESC[Si]1(C)C(c2ccc3sccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2sccc2c1
InChIInChI=1S/C34H26S2Si/c1-37(2)33(27-13-15-29-25(21-27)17-19-35-29)31(23-9-5-3-6-10-23)32(24-11-7-4-8-12-24)34(37)28-14-16-30-26(22-28)18-20-36-30/h3-22H,1-2H3
InChIKeyDXKXKUZERPKZPL-UHFFFAOYSA-N
MW526.80 g/mol
LogP10.44
Rot. Bonds4

About 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene

5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene (PubChem CID 122365519) has the molecular formula C34H26S2Si and a molecular weight of 526.80 g/mol. Its IUPAC name is 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene.

Molecular Properties

Compound Name5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
PubChem CID122365519
Molecular FormulaC34H26S2Si
Molecular Weight526.80 g/mol
Exact Mass526.12
IUPAC Name5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
SMILESC[Si]1(C)C(c2ccc3sccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2sccc2c1
InChIInChI=1S/C34H26S2Si/c1-37(2)33(27-13-15-29-25(21-27)17-19-35-29)31(23-9-5-3-6-10-23)32(24-11-7-4-8-12-24)34(37)28-14-16-30-26(22-28)18-20-36-30/h3-22H,1-2H3
InChIKeyDXKXKUZERPKZPL-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(1-benzothiophen-5-yl)-1-methyl-1,3,4-triphenylsilol-2-yl]-1-benzothiophene
CID 122365518
1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
CID 54302855
1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
5-naphthalen-2-yl-1-benzothiophene
CID 101067943
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
CID 18792351
3-(1-benzothiophen-5-yl)-1H-pyrrole
CID 67417716
2-(1-benzothiophen-5-yl)-4-chrysen-3-yl-6-phenyl-1,3,5-triazine
CID 159314733
2-deuterio-5-phenyl-1-benzothiophene
CID 163287192
2-(2,3,6,7,8,9-hexakis-phenyl-4-thiophen-2-yl-5-silaspiro[4.4]nona-1,3,6,8-tetraen-1-yl)thiophene
CID 102191393
2-(1-benzothiophen-5-yl)-3-(2-phenylethynyl)benzoic acid
CID 118078429
4-(1-benzothiophen-5-yl)isoquinoline
CID 86224261
1-benzothiophene
CID 175697738

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene?
The IUPAC name of 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene (CID 122365519) is 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene.
What is the SMILES notation for 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene?
The canonical SMILES for 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene is C[Si]1(C)C(c2ccc3sccc3c2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc2sccc2c1.
What is the InChIKey of 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene?
The InChIKey is DXKXKUZERPKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26S2Si/c1-37(2)33(27-13-15-29-25(21-27)17-19-35-29)31(23-9-5-3-6-10-23)32(24-11-7-4-8-12-24)34(37)28-14-16-30-26(22-28)18-20-36-30/h3-22H,1-2H3.
What are the key properties of 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene?
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene has a molecular weight of 526.80 g/mol, XLogP of 10.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene is sourced from PubChem (CID 122365519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).