2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine

C43H24N4O3 — CID 164783900

IUPAC2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc21
InChIInChI=1S/C43H24N4O3/c1-2-8-31-29(7-1)30-22-25(13-14-32(30)43(31)33-9-3-5-11-37(33)48-38-12-6-4-10-34(38)43)26-19-27(41-46-35-15-17-44-23-39(35)49-41)21-28(20-26)42-47-36-16-18-45-24-40(36)50-42/h1-24H
InChIKeyWTXALGVICUJABU-UHFFFAOYSA-N
MW644.69 g/mol
LogP10.23
Rot. Bonds3

About 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine

2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 164783900) has the molecular formula C43H24N4O3 and a molecular weight of 644.69 g/mol. Its IUPAC name is 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
PubChem CID164783900
Molecular FormulaC43H24N4O3
Molecular Weight644.69 g/mol
Exact Mass644.18
IUPAC Name2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc21
InChIInChI=1S/C43H24N4O3/c1-2-8-31-29(7-1)30-22-25(13-14-32(30)43(31)33-9-3-5-11-37(33)48-38-12-6-4-10-34(38)43)26-19-27(41-46-35-15-17-44-23-39(35)49-41)21-28(20-26)42-47-36-16-18-45-24-40(36)50-42/h1-24H
InChIKeyWTXALGVICUJABU-UHFFFAOYSA-N
XLogP10.23
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.69
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 164783887
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
CID 164783955
2-[3-(1,3-benzoxazol-2-yl)-5-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783727
2-[3-(1,3-benzoxazol-2-yl)-5-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783476
2-[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
CID 164783651
2-[3-(1,3-benzoxazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-3-yl)phenyl]-1,3-benzoxazole
CID 164783824
2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783951
4-[[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]methoxy]pyridin-3-amine
CID 164783562
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)-5-spiro[fluorene-9,9'-thioxanthene]-3-ylphenyl]-1,3-benzoxazole
CID 165057284
2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
CID 167177935
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164783879
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 164803864

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine (CID 164783900) is 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc21.
What is the InChIKey of 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is WTXALGVICUJABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4O3/c1-2-8-31-29(7-1)30-22-25(13-14-32(30)43(31)33-9-3-5-11-37(33)48-38-12-6-4-10-34(38)43)26-19-27(41-46-35-15-17-44-23-39(35)49-41)21-28(20-26)42-47-36-16-18-45-24-40(36)50-42/h1-24H.
What are the key properties of 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine?
2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 644.69 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 164783900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).