10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine

C45H32FNO — CID 71004146

IUPAC10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H32FNO/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3
InChIKeyLIQYBVSECAHGMU-UHFFFAOYSA-N
MW621.76 g/mol
LogP12.84
Rot. Bonds4

About 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine

10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine (PubChem CID 71004146) has the molecular formula C45H32FNO and a molecular weight of 621.76 g/mol. Its IUPAC name is 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine.

Molecular Properties

Compound Name10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
PubChem CID71004146
Molecular FormulaC45H32FNO
Molecular Weight621.76 g/mol
Exact Mass621.25
IUPAC Name10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine
SMILESCC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H32FNO/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3
InChIKeyLIQYBVSECAHGMU-UHFFFAOYSA-N
XLogP12.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.76
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The IUPAC name of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine (CID 71004146) is 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine.
What is the SMILES notation for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The canonical SMILES for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine is CC1(C)c2cc(F)ccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
The InChIKey is LIQYBVSECAHGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32FNO/c1-45(2)39-27-34(29-10-4-3-5-11-29)18-21-41(39)47(42-22-20-35(46)28-40(42)45)36-15-9-14-32(25-36)30-12-8-13-31(24-30)33-19-23-44-38(26-33)37-16-6-7-17-43(37)48-44/h3-28H,1-2H3.
What are the key properties of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine?
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine has a molecular weight of 621.76 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-2-fluoro-9,9-dimethyl-7-phenylacridine is sourced from PubChem (CID 71004146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).