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

C47H26N4O3 — CID 164783887

IUPAC2-[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
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C47H26N4O3/c1-2-8-28-23-38-34(22-27(28)7-1)33-14-13-29(24-37(33)47(38)35-9-3-5-11-41(35)52-42-12-6-4-10-36(42)47)30-19-31(45-50-39-15-17-48-25-43(39)53-45)21-32(20-30)46-51-40-16-18-49-26-44(40)54-46/h1-26H
InChIKeyFFGQZXAKMVKNOP-UHFFFAOYSA-N
MW694.75 g/mol
LogP11.38
Rot. Bonds3

About 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

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 (PubChem CID 164783887) has the molecular formula C47H26N4O3 and a molecular weight of 694.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164783887
Molecular FormulaC47H26N4O3
Molecular Weight694.75 g/mol
Exact Mass694.20
IUPAC Name2-[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
SMILESc1ccc2c(c1)Oc1ccccc1C21c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C47H26N4O3/c1-2-8-28-23-38-34(22-27(28)7-1)33-14-13-29(24-37(33)47(38)35-9-3-5-11-41(35)52-42-12-6-4-10-36(42)47)30-19-31(45-50-39-15-17-48-25-43(39)53-45)21-32(20-30)46-51-40-16-18-49-26-44(40)54-46/h1-26H
InChIKeyFFGQZXAKMVKNOP-UHFFFAOYSA-N
XLogP11.38
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[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-benzoxazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
CID 164783955
2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783951
2-[3-(1,3-benzoxazol-2-yl)-5-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783727
2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-(11,11-diphenylbenzo[b]fluoren-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803786
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
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
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 164803864
2-[3-(1,3-benzoxazol-2-yl)-5-[2,3,5,6-tetradeuterio-4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccccc1C21c2cc(-c3cc(-c4nc5ccncc5o4)cc(-c4nc5ccncc5o4)c3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 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?
The InChIKey is FFGQZXAKMVKNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O3/c1-2-8-28-23-38-34(22-27(28)7-1)33-14-13-29(24-37(33)47(38)35-9-3-5-11-41(35)52-42-12-6-4-10-36(42)47)30-19-31(45-50-39-15-17-48-25-43(39)53-45)21-32(20-30)46-51-40-16-18-49-26-44(40)54-46/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 694.75 g/mol, XLogP of 11.38, 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[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 164783887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).