6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione

C37H24FNO4 — CID 118655381

IUPAC6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc3cc(C4=C5OC(=O)C(c6ccc(F)cc6)=C5OC4=O)ccc3c21
InChIInChI=1S/C37H24FNO4/c1-37(2)27-10-6-7-11-28(27)39(25-8-4-3-5-9-25)29-19-15-22-20-23(14-18-26(22)32(29)37)31-34-33(42-36(31)41)30(35(40)43-34)21-12-16-24(38)17-13-21/h3-20H,1-2H3
InChIKeyFAGYJKPYEVVJBM-UHFFFAOYSA-N
MW565.60 g/mol
LogP8.32
Rot. Bonds3

About 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione

6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione (PubChem CID 118655381) has the molecular formula C37H24FNO4 and a molecular weight of 565.60 g/mol. Its IUPAC name is 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
PubChem CID118655381
Molecular FormulaC37H24FNO4
Molecular Weight565.60 g/mol
Exact Mass565.17
IUPAC Name6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc3cc(C4=C5OC(=O)C(c6ccc(F)cc6)=C5OC4=O)ccc3c21
InChIInChI=1S/C37H24FNO4/c1-37(2)27-10-6-7-11-28(27)39(25-8-4-3-5-9-25)29-19-15-22-20-23(14-18-26(22)32(29)37)31-34-33(42-36(31)41)30(35(40)43-34)21-12-16-24(38)17-13-21/h3-20H,1-2H3
InChIKeyFAGYJKPYEVVJBM-UHFFFAOYSA-N
XLogP8.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.60
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione?
The IUPAC name of 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione (CID 118655381) is 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione.
What is the SMILES notation for 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione?
The canonical SMILES for 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione is CC1(C)c2ccccc2N(c2ccccc2)c2ccc3cc(C4=C5OC(=O)C(c6ccc(F)cc6)=C5OC4=O)ccc3c21.
What is the InChIKey of 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione?
The InChIKey is FAGYJKPYEVVJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24FNO4/c1-37(2)27-10-6-7-11-28(27)39(25-8-4-3-5-9-25)29-19-15-22-20-23(14-18-26(22)32(29)37)31-34-33(42-36(31)41)30(35(40)43-34)21-12-16-24(38)17-13-21/h3-20H,1-2H3.
What are the key properties of 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione?
6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione has a molecular weight of 565.60 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione is sourced from PubChem (CID 118655381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).