2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

C38H24N2O4 — CID 138622625

IUPAC2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3cc4ccccc4o3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cc4ccccc4o2)ccc1n3C
InChIInChI=1S/C38H24N2O4/c1-39-29-13-11-23(35-17-21-7-3-5-9-33(21)43-35)15-25(29)37(41)27-20-32-28(19-31(27)39)38(42)26-16-24(12-14-30(26)40(32)2)36-18-22-8-4-6-10-34(22)44-36/h3-20H,1-2H3
InChIKeyZMUNVUXDIBIPTK-UHFFFAOYSA-N
MW572.62 g/mol
LogP8.52
Rot. Bonds2

About 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione

2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138622625) has the molecular formula C38H24N2O4 and a molecular weight of 572.62 g/mol. Its IUPAC name is 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138622625
Molecular FormulaC38H24N2O4
Molecular Weight572.62 g/mol
Exact Mass572.17
IUPAC Name2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
SMILESCn1c2ccc(-c3cc4ccccc4o3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cc4ccccc4o2)ccc1n3C
InChIInChI=1S/C38H24N2O4/c1-39-29-13-11-23(35-17-21-7-3-5-9-33(21)43-35)15-25(29)37(41)27-20-32-28(19-31(27)39)38(42)26-16-24(12-14-30(26)40(32)2)36-18-22-8-4-6-10-34(22)44-36/h3-20H,1-2H3
InChIKeyZMUNVUXDIBIPTK-UHFFFAOYSA-N
XLogP8.52
TPSA70.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622627
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
10-methyl-2-phenylacridin-9-one
CID 18533849
3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
2-(4-nitrophenyl)-1-benzofuran
CID 638459
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione (CID 138622625) is 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is Cn1c2ccc(-c3cc4ccccc4o3)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(-c2cc4ccccc4o2)ccc1n3C.
What is the InChIKey of 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is ZMUNVUXDIBIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O4/c1-39-29-13-11-23(35-17-21-7-3-5-9-33(21)43-35)15-25(29)37(41)27-20-32-28(19-31(27)39)38(42)26-16-24(12-14-30(26)40(32)2)36-18-22-8-4-6-10-34(22)44-36/h3-20H,1-2H3.
What are the key properties of 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione?
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 572.62 g/mol, XLogP of 8.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138622625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).