10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one

C30H18N2O2 — CID 130353952

IUPAC10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-c3cnc4oc5ccccc5c4c3)cc2)c2ccccc12
InChIInChI=1S/C30H18N2O2/c33-29-23-8-1-4-10-26(23)32(27-11-5-2-9-24(27)29)21-15-13-19(14-16-21)20-17-25-22-7-3-6-12-28(22)34-30(25)31-18-20/h1-18H
InChIKeyFBSFGYKVKPDSSI-UHFFFAOYSA-N
MW438.49 g/mol
LogP7.11
Rot. Bonds2

About 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one

10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one (PubChem CID 130353952) has the molecular formula C30H18N2O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one
PubChem CID130353952
Molecular FormulaC30H18N2O2
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC Name10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-c3cnc4oc5ccccc5c4c3)cc2)c2ccccc12
InChIInChI=1S/C30H18N2O2/c33-29-23-8-1-4-10-26(23)32(27-11-5-2-9-24(27)29)21-15-13-19(14-16-21)20-17-25-22-7-3-6-12-28(22)34-30(25)31-18-20/h1-18H
InChIKeyFBSFGYKVKPDSSI-UHFFFAOYSA-N
XLogP7.11
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 157254942
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 118232443
3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine
CID 170177073
4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-(3-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 162774812
9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole
CID 171851975
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
CID 118335134
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821

Frequently Asked Questions

What is the IUPAC name of 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one?
The IUPAC name of 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one (CID 130353952) is 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one.
What is the SMILES notation for 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one?
The canonical SMILES for 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one is O=c1c2ccccc2n(-c2ccc(-c3cnc4oc5ccccc5c4c3)cc2)c2ccccc12.
What is the InChIKey of 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one?
The InChIKey is FBSFGYKVKPDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O2/c33-29-23-8-1-4-10-26(23)32(27-11-5-2-9-24(27)29)21-15-13-19(14-16-21)20-17-25-22-7-3-6-12-28(22)34-30(25)31-18-20/h1-18H.
What are the key properties of 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one?
10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one has a molecular weight of 438.49 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one is sourced from PubChem (CID 130353952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).