5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione

C36H26Cl2N2O2 — CID 141053710

IUPAC5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2c(=O)c3cc4c(cc3n(-c3ccc(Cl)cc3)c2c1)c(=O)c1c(C)cc(C)cc1n4-c1ccc(Cl)cc1
InChIInChI=1S/C36H26Cl2N2O2/c1-19-13-21(3)33-31(15-19)39(25-9-5-23(37)6-10-25)29-17-28-30(18-27(29)35(33)41)40(26-11-7-24(38)8-12-26)32-16-20(2)14-22(4)34(32)36(28)42/h5-18H,1-4H3
InChIKeyVUEXEVHDWTXXSW-UHFFFAOYSA-N
MW589.52 g/mol
LogP9.14
Rot. Bonds2

About 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione

5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 141053710) has the molecular formula C36H26Cl2N2O2 and a molecular weight of 589.52 g/mol. Its IUPAC name is 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID141053710
Molecular FormulaC36H26Cl2N2O2
Molecular Weight589.52 g/mol
Exact Mass588.14
IUPAC Name5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione
SMILESCc1cc(C)c2c(=O)c3cc4c(cc3n(-c3ccc(Cl)cc3)c2c1)c(=O)c1c(C)cc(C)cc1n4-c1ccc(Cl)cc1
InChIInChI=1S/C36H26Cl2N2O2/c1-19-13-21(3)33-31(15-19)39(25-9-5-23(37)6-10-25)29-17-28-30(18-27(29)35(33)41)40(26-11-7-24(38)8-12-26)32-16-20(2)14-22(4)34(32)36(28)42/h5-18H,1-4H3
InChIKeyVUEXEVHDWTXXSW-UHFFFAOYSA-N
XLogP9.14
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.52
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione with MolForge

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Related Compounds

4,6,25,27-tetramethyl-9,22-diazahexacyclo[20.10.2.03,8.09,32.023,28.030,34]tetratriaconta-1(33),3,5,7,23,25,27,30(34),31-nonaene-2,29-dione
CID 102265854
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823245
5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione
CID 168823273
1,3,8,10-tetrakis(4-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 139320969
3,10-ditert-butyl-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823353
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CID 170202114
3-(4-chlorophenyl)-N,N,5-trimethyl-2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione (CID 141053710) is 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione is Cc1cc(C)c2c(=O)c3cc4c(cc3n(-c3ccc(Cl)cc3)c2c1)c(=O)c1c(C)cc(C)cc1n4-c1ccc(Cl)cc1.
What is the InChIKey of 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is VUEXEVHDWTXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl2N2O2/c1-19-13-21(3)33-31(15-19)39(25-9-5-23(37)6-10-25)29-17-28-30(18-27(29)35(33)41)40(26-11-7-24(38)8-12-26)32-16-20(2)14-22(4)34(32)36(28)42/h5-18H,1-4H3.
What are the key properties of 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione?
5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 589.52 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 141053710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).