[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane

C30H26FNOSSi — CID 170689466

IUPAC[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane
SMILESCc1cc(-c2nccc3c(C)c(-c4ccc([Si](C)(C)C)cc4)sc23)c2oc3cc(F)ccc3c2c1
InChIInChI=1S/C30H26FNOSSi/c1-17-14-24-23-11-8-20(31)16-26(23)33-28(24)25(15-17)27-30-22(12-13-32-27)18(2)29(34-30)19-6-9-21(10-7-19)35(3,4)5/h6-16H,1-5H3
InChIKeyGNJWWYKPGWWZLH-UHFFFAOYSA-N
MW495.70 g/mol
LogP8.83
Rot. Bonds3

About [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane

[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane (PubChem CID 170689466) has the molecular formula C30H26FNOSSi and a molecular weight of 495.70 g/mol. Its IUPAC name is [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane
PubChem CID170689466
Molecular FormulaC30H26FNOSSi
Molecular Weight495.70 g/mol
Exact Mass495.15
IUPAC Name[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane
SMILESCc1cc(-c2nccc3c(C)c(-c4ccc([Si](C)(C)C)cc4)sc23)c2oc3cc(F)ccc3c2c1
InChIInChI=1S/C30H26FNOSSi/c1-17-14-24-23-11-8-20(31)16-26(23)33-28(24)25(15-17)27-30-22(12-13-32-27)18(2)29(34-30)19-6-9-21(10-7-19)35(3,4)5/h6-16H,1-5H3
InChIKeyGNJWWYKPGWWZLH-UHFFFAOYSA-N
XLogP8.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.70
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane (CID 170689466) is [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane is Cc1cc(-c2nccc3c(C)c(-c4ccc([Si](C)(C)C)cc4)sc23)c2oc3cc(F)ccc3c2c1.
What is the InChIKey of [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane?
The InChIKey is GNJWWYKPGWWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FNOSSi/c1-17-14-24-23-11-8-20(31)16-26(23)33-28(24)25(15-17)27-30-22(12-13-32-27)18(2)29(34-30)19-6-9-21(10-7-19)35(3,4)5/h6-16H,1-5H3.
What are the key properties of [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane?
[4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane has a molecular weight of 495.70 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(7-fluoro-2-methyldibenzofuran-4-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 170689466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).