5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione

C44H44N2O2 — CID 168823273

IUPAC5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCc1cc2c(=O)c3cc4c(cc3n(-c3cc(C)cc(C)c3)c2cc1CC)c(=O)c1cc(CC)c(CC)cc1n4-c1cc(C)cc(C)c1
InChIInChI=1S/C44H44N2O2/c1-9-29-19-35-39(21-31(29)11-3)45(33-15-25(5)13-26(6)16-33)41-24-38-42(23-37(41)43(35)47)46(34-17-27(7)14-28(8)18-34)40-22-32(12-4)30(10-2)20-36(40)44(38)48/h13-24H,9-12H2,1-8H3
InChIKeySEUJSXBLKQVORZ-UHFFFAOYSA-N
MW632.85 g/mol
LogP10.08
Rot. Bonds6

About 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione

5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 168823273) has the molecular formula C44H44N2O2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione
PubChem CID168823273
Molecular FormulaC44H44N2O2
Molecular Weight632.85 g/mol
Exact Mass632.34
IUPAC Name5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione
SMILESCCc1cc2c(=O)c3cc4c(cc3n(-c3cc(C)cc(C)c3)c2cc1CC)c(=O)c1cc(CC)c(CC)cc1n4-c1cc(C)cc(C)c1
InChIInChI=1S/C44H44N2O2/c1-9-29-19-35-39(21-31(29)11-3)45(33-15-25(5)13-26(6)16-33)41-24-38-42(23-37(41)43(35)47)46(34-17-27(7)14-28(8)18-34)40-22-32(12-4)30(10-2)20-36(40)44(38)48/h13-24H,9-12H2,1-8H3
InChIKeySEUJSXBLKQVORZ-UHFFFAOYSA-N
XLogP10.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 510.08
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(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
5,12-bis(4-chlorophenyl)-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione
CID 141053710
2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 59705832
5,12-bis(2,4,6-tripropylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 167209555
1-(3,5-dimethylphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115945944
9,18-bis(3,5-dimethylphenyl)-6-N,6-N,15-N,15-N-tetraphenyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
CID 118135762
9-(10-carbazol-9-yl-2,3-diethylanthracen-9-yl)carbazole
CID 143467653
1-(2,6-diethyl-4-methylphenyl)pyrrole-2,5-dione
CID 141355861
3,10-di(propan-2-yl)-5,12-bis(4-propan-2-ylphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 168823245
2,9-di(butan-2-yl)-5,12-bis(4-hydroxyphenyl)quinolino[2,3-b]acridine-7,14-dione
CID 23522317
1-(3,5-dimethylphenyl)-7-(hexylamino)-2-(4-methylphenyl)quinolin-4-one
CID 102491132
2,3,10,11-tetraethylpyranthrene-8,16-dione
CID 59758640

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione (CID 168823273) is 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione is CCc1cc2c(=O)c3cc4c(cc3n(-c3cc(C)cc(C)c3)c2cc1CC)c(=O)c1cc(CC)c(CC)cc1n4-c1cc(C)cc(C)c1.
What is the InChIKey of 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is SEUJSXBLKQVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2O2/c1-9-29-19-35-39(21-31(29)11-3)45(33-15-25(5)13-26(6)16-33)41-24-38-42(23-37(41)43(35)47)46(34-17-27(7)14-28(8)18-34)40-22-32(12-4)30(10-2)20-36(40)44(38)48/h13-24H,9-12H2,1-8H3.
What are the key properties of 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione?
5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 632.85 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3,5-dimethylphenyl)-2,3,9,10-tetraethylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 168823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).