1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine

C28H20FNOS — CID 168736802

IUPAC1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c2oc2c(F)c(-c4sc5ccccc5c4C)ccc23)c1
InChIInChI=1S/C28H20FNOS/c1-15-12-16(2)14-18(13-15)25-27-21(10-11-30-25)20-8-9-22(24(29)26(20)31-27)28-17(3)19-6-4-5-7-23(19)32-28/h4-14H,1-3H3
InChIKeyWUQLMPOIVRGZER-UHFFFAOYSA-N
MW437.54 g/mol
LogP8.59
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine

1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 168736802) has the molecular formula C28H20FNOS and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID168736802
Molecular FormulaC28H20FNOS
Molecular Weight437.54 g/mol
Exact Mass437.12
IUPAC Name1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c2oc2c(F)c(-c4sc5ccccc5c4C)ccc23)c1
InChIInChI=1S/C28H20FNOS/c1-15-12-16(2)14-18(13-15)25-27-21(10-11-30-25)20-8-9-22(24(29)26(20)31-27)28-17(3)19-6-4-5-7-23(19)32-28/h4-14H,1-3H3
InChIKeyWUQLMPOIVRGZER-UHFFFAOYSA-N
XLogP8.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

3-([1]Benzofuro[2,3-c]pyridin-3-yl)-2-fluorobenzenethiol
CID 67326004
2-[2-Ethyl-7-(4-fluorophenyl)-1-benzofuran-5-yl]-5-(4-fluorophenoxy)pyridine
CID 124144377
1-(Difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
CID 144769713
1-[4-[5-(2-Fluoro-4-methylsulfanylphenyl)furo[2,3-c]pyridin-2-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 145629756
5-(2-Fluoro-4-methylsulfanylphenyl)-2-piperidin-4-ylfuro[2,3-c]pyridine
CID 145629759
1-[4-([1]Benzofuro[2,3-c]pyridin-1-yl)naphthalen-1-yl]-6-fluoro-[1]benzofuro[2,3-c]pyridine
CID 147675758
1-(4-Tert-butylnaphthalen-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599473
5-(2-Fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine
CID 155132286
[3-[2-(2-Fluoro-5-methylphenyl)furo[2,3-c]pyridin-7-yl]naphthalen-1-yl]-trimethylgermane
CID 162482619
2-[6-(1-Benzothiophen-6-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849211
2-(7-Fluoro-3-methyl-6-thieno[3,2-b]thiophen-6-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849402
2-(7-Fluoro-3-methyl-6-thieno[3,2-b]thiophen-5-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849435

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine (CID 168736802) is 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3c2oc2c(F)c(-c4sc5ccccc5c4C)ccc23)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is WUQLMPOIVRGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNOS/c1-15-12-16(2)14-18(13-15)25-27-21(10-11-30-25)20-8-9-22(24(29)26(20)31-27)28-17(3)19-6-4-5-7-23(19)32-28/h4-14H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine?
1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 437.54 g/mol, XLogP of 8.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-8-fluoro-7-(3-methyl-1-benzothiophen-2-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168736802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).