trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane

C32H32N2O2S3Si2 — CID 123385458

IUPACtrimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C32H32N2O2S3Si2/c1-40(2,3)35-23-11-7-21(8-12-23)27-17-19-29(37-27)25-15-16-26(32-31(25)33-39-34-32)30-20-18-28(38-30)22-9-13-24(14-10-22)36-41(4,5)6/h7-20H,1-6H3
InChIKeyIOICZELOTSBOAB-UHFFFAOYSA-N
MW628.99 g/mol
LogP10.91
Rot. Bonds8

About trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane

trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane (PubChem CID 123385458) has the molecular formula C32H32N2O2S3Si2 and a molecular weight of 628.99 g/mol. Its IUPAC name is trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane
PubChem CID123385458
Molecular FormulaC32H32N2O2S3Si2
Molecular Weight628.99 g/mol
Exact Mass628.12
IUPAC Nametrimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1
InChIInChI=1S/C32H32N2O2S3Si2/c1-40(2,3)35-23-11-7-21(8-12-23)27-17-19-29(37-27)25-15-16-26(32-31(25)33-39-34-32)30-20-18-28(38-30)22-9-13-24(14-10-22)36-41(4,5)6/h7-20H,1-6H3
InChIKeyIOICZELOTSBOAB-UHFFFAOYSA-N
XLogP10.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.99
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane (CID 123385458) is trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane is C[Si](C)(C)Oc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(O[Si](C)(C)C)cc5)s4)c4nsnc34)s2)cc1.
What is the InChIKey of trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane?
The InChIKey is IOICZELOTSBOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2S3Si2/c1-40(2,3)35-23-11-7-21(8-12-23)27-17-19-29(37-27)25-15-16-26(32-31(25)33-39-34-32)30-20-18-28(38-30)22-9-13-24(14-10-22)36-41(4,5)6/h7-20H,1-6H3.
What are the key properties of trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane?
trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane has a molecular weight of 628.99 g/mol, XLogP of 10.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[5-[4-[5-(4-trimethylsilyloxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]silane is sourced from PubChem (CID 123385458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).