7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

C35H15F2N3O4S2 — CID 169314084

IUPAC7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESFc1ccc2cc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10o9)s8)nc7cc6cc5o4)s3)oc2c1
InChIInChI=1S/C35H15F2N3O4S2/c36-19-2-1-16-11-28(41-24(16)14-19)29-5-6-30(45-29)34-39-22-9-17-13-26-23(10-18(17)12-25(22)42-34)40-35(43-26)32-8-7-31(46-32)33-38-21-4-3-20(37)15-27(21)44-33/h1-15H
InChIKeyKFZQSSBMSJAIBQ-UHFFFAOYSA-N
MW643.65 g/mol
LogP11.08
Rot. Bonds4

About 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (PubChem CID 169314084) has the molecular formula C35H15F2N3O4S2 and a molecular weight of 643.65 g/mol. Its IUPAC name is 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
PubChem CID169314084
Molecular FormulaC35H15F2N3O4S2
Molecular Weight643.65 g/mol
Exact Mass643.05
IUPAC Name7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESFc1ccc2cc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10o9)s8)nc7cc6cc5o4)s3)oc2c1
InChIInChI=1S/C35H15F2N3O4S2/c36-19-2-1-16-11-28(41-24(16)14-19)29-5-6-30(45-29)34-39-22-9-17-13-26-23(10-18(17)12-25(22)42-34)40-35(43-26)32-8-7-31(46-32)33-38-21-4-3-20(37)15-27(21)44-33/h1-15H
InChIKeyKFZQSSBMSJAIBQ-UHFFFAOYSA-N
XLogP11.08
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.65
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The IUPAC name of 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (CID 169314084) is 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.
What is the SMILES notation for 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The canonical SMILES for 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is Fc1ccc2cc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10o9)s8)nc7cc6cc5o4)s3)oc2c1.
What is the InChIKey of 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The InChIKey is KFZQSSBMSJAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H15F2N3O4S2/c36-19-2-1-16-11-28(41-24(16)14-19)29-5-6-30(45-29)34-39-22-9-17-13-26-23(10-18(17)12-25(22)42-34)40-35(43-26)32-8-7-31(46-32)33-38-21-4-3-20(37)15-27(21)44-33/h1-15H.
What are the key properties of 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole has a molecular weight of 643.65 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(6-fluoro-1-benzofuran-2-yl)thiophen-2-yl]-2-[5-(6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 169314084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).