5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione

C36H28N2O2 — CID 138654426

IUPAC5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2c(=O)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C36H28N2O2/c1-3-37-31-21-30-32(22-29(31)35(39)27-19-11-17-25(33(27)37)23-13-7-5-8-14-23)38(4-2)34-26(24-15-9-6-10-16-24)18-12-20-28(34)36(30)40/h5-22H,3-4H2,1-2H3
InChIKeyANXAUFJNLAHMAI-UHFFFAOYSA-N
MW520.63 g/mol
LogP8.00
Rot. Bonds4

About 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione

5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione (PubChem CID 138654426) has the molecular formula C36H28N2O2 and a molecular weight of 520.63 g/mol. Its IUPAC name is 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
PubChem CID138654426
Molecular FormulaC36H28N2O2
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC Name5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
SMILESCCn1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2c(=O)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C36H28N2O2/c1-3-37-31-21-30-32(22-29(31)35(39)27-19-11-17-25(33(27)37)23-13-7-5-8-14-23)38(4-2)34-26(24-15-9-6-10-16-24)18-12-20-28(34)36(30)40/h5-22H,3-4H2,1-2H3
InChIKeyANXAUFJNLAHMAI-UHFFFAOYSA-N
XLogP8.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 163818727
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
CID 145450912
1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
CID 139791344
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
5-ethylindeno[1,2-b]carbazol-11-one
CID 135020105
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138654549
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781

Frequently Asked Questions

What is the IUPAC name of 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione (CID 138654426) is 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione is CCn1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2c(=O)c2cccc(-c3ccccc3)c21.
What is the InChIKey of 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is ANXAUFJNLAHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O2/c1-3-37-31-21-30-32(22-29(31)35(39)27-19-11-17-25(33(27)37)23-13-7-5-8-14-23)38(4-2)34-26(24-15-9-6-10-16-24)18-12-20-28(34)36(30)40/h5-22H,3-4H2,1-2H3.
What are the key properties of 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione?
5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 520.63 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 138654426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).