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

C55H32N4O3 — CID 164783651

IUPAC2-[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
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6cnccc6o5)cc4)cc(-c4ccc(-c5nc6cnccc6o5)cc4)c3)cccc21
InChIInChI=1S/C55H32N4O3/c1-2-10-42-41(8-1)52-40(9-7-13-45(52)55(42)43-11-3-5-14-48(43)60-49-15-6-4-12-44(49)55)39-29-37(33-16-20-35(21-17-33)53-58-46-31-56-26-24-50(46)61-53)28-38(30-39)34-18-22-36(23-19-34)54-59-47-32-57-27-25-51(47)62-54/h1-32H
InChIKeyWUHMVUHPJFQLHI-UHFFFAOYSA-N
MW796.89 g/mol
LogP13.56
Rot. Bonds5

About 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

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 (PubChem CID 164783651) has the molecular formula C55H32N4O3 and a molecular weight of 796.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164783651
Molecular FormulaC55H32N4O3
Molecular Weight796.89 g/mol
Exact Mass796.25
IUPAC Name2-[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
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6cnccc6o5)cc4)cc(-c4ccc(-c5nc6cnccc6o5)cc4)c3)cccc21
InChIInChI=1S/C55H32N4O3/c1-2-10-42-41(8-1)52-40(9-7-13-45(52)55(42)43-11-3-5-14-48(43)60-49-15-6-4-12-44(49)55)39-29-37(33-16-20-35(21-17-33)53-58-46-31-56-26-24-50(46)61-53)28-38(30-39)34-18-22-36(23-19-34)54-59-47-32-57-27-25-51(47)62-54/h1-32H
InChIKeyWUHMVUHPJFQLHI-UHFFFAOYSA-N
XLogP13.56
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.89
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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
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-[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-[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-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-[3-(1,3-benzoxazol-2-yl)-5-(7-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-3-yl)phenyl]-1,3-benzoxazole
CID 164783824
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)phenyl]-1,3-benzothiazole
CID 164783626
2-[3-(1,3-benzothiazol-2-yl)-5-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 164783951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(-c3cc(-c4ccc(-c5nc6cnccc6o5)cc4)cc(-c4ccc(-c5nc6cnccc6o5)cc4)c3)cccc21.
What is the InChIKey of 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?
The InChIKey is WUHMVUHPJFQLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O3/c1-2-10-42-41(8-1)52-40(9-7-13-45(52)55(42)43-11-3-5-14-48(43)60-49-15-6-4-12-44(49)55)39-29-37(33-16-20-35(21-17-33)53-58-46-31-56-26-24-50(46)61-53)28-38(30-39)34-18-22-36(23-19-34)54-59-47-32-57-27-25-51(47)62-54/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 796.89 g/mol, XLogP of 13.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164783651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).