4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione

C48H36N2O6 — CID 58669175

IUPAC4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(-n2c3cc4c(=O)c5c(-c6ccccc6)ccc(OC)c5n(-c5ccc(OC)cc5)c4cc3c(=O)c3c(-c4ccccc4)ccc(OC)c32)cc1
InChIInChI=1S/C48H36N2O6/c1-53-33-19-15-31(16-20-33)49-39-27-38-40(28-37(39)47(51)43-35(29-11-7-5-8-12-29)23-25-41(55-3)45(43)49)50(32-17-21-34(54-2)22-18-32)46-42(56-4)26-24-36(44(46)48(38)52)30-13-9-6-10-14-30/h5-28H,1-4H3
InChIKeyCKAOLZSQBZQZBG-UHFFFAOYSA-N
MW736.82 g/mol
LogP9.97
Rot. Bonds8

About 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione

4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 58669175) has the molecular formula C48H36N2O6 and a molecular weight of 736.82 g/mol. Its IUPAC name is 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione
PubChem CID58669175
Molecular FormulaC48H36N2O6
Molecular Weight736.82 g/mol
Exact Mass736.26
IUPAC Name4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione
SMILESCOc1ccc(-n2c3cc4c(=O)c5c(-c6ccccc6)ccc(OC)c5n(-c5ccc(OC)cc5)c4cc3c(=O)c3c(-c4ccccc4)ccc(OC)c32)cc1
InChIInChI=1S/C48H36N2O6/c1-53-33-19-15-31(16-20-33)49-39-27-38-40(28-37(39)47(51)43-35(29-11-7-5-8-12-29)23-25-41(55-3)45(43)49)50(32-17-21-34(54-2)22-18-32)46-42(56-4)26-24-36(44(46)48(38)52)30-13-9-6-10-14-30/h5-28H,1-4H3
InChIKeyCKAOLZSQBZQZBG-UHFFFAOYSA-N
XLogP9.97
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.82
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

8-methoxy-3-(4-methoxyphenyl)-1-methyl-5-phenylquinolin-4-one
CID 18771346
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
3-methoxy-1,9-diphenylcarbazole
CID 121437675
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139791356
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796238
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
1-methoxy-4-phenylnaphtho[2,3-b][1]benzofuran
CID 167077293
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione (CID 58669175) is 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione is COc1ccc(-n2c3cc4c(=O)c5c(-c6ccccc6)ccc(OC)c5n(-c5ccc(OC)cc5)c4cc3c(=O)c3c(-c4ccccc4)ccc(OC)c32)cc1.
What is the InChIKey of 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is CKAOLZSQBZQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O6/c1-53-33-19-15-31(16-20-33)49-39-27-38-40(28-37(39)47(51)43-35(29-11-7-5-8-12-29)23-25-41(55-3)45(43)49)50(32-17-21-34(54-2)22-18-32)46-42(56-4)26-24-36(44(46)48(38)52)30-13-9-6-10-14-30/h5-28H,1-4H3.
What are the key properties of 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione?
4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 736.82 g/mol, XLogP of 9.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethoxy-5,12-bis(4-methoxyphenyl)-1,8-diphenylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 58669175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).