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

C36H30N2O2 — CID 163818727

IUPAC5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCCN1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2C(=O)C2C=CC=C(c3ccccc3)C21
InChIInChI=1S/C36H30N2O2/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/h5-22,27,33H,3-4H2,1-2H3
InChIKeyNTOUUAGLUQTEMD-UHFFFAOYSA-N
MW522.65 g/mol
LogP7.50
Rot. Bonds4

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

5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 163818727) has the molecular formula C36H30N2O2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID163818727
Molecular FormulaC36H30N2O2
Molecular Weight522.65 g/mol
Exact Mass522.23
IUPAC Name5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESCCN1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2C(=O)C2C=CC=C(c3ccccc3)C21
InChIInChI=1S/C36H30N2O2/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/h5-22,27,33H,3-4H2,1-2H3
InChIKeyNTOUUAGLUQTEMD-UHFFFAOYSA-N
XLogP7.50
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 57.50
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-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
5,12-dimethyl-4,11-di(pyren-2-yl)-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 163700776
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
5,12-diphenyl-4a,14a-dihydroquinolino[2,3-b]acridine-7,14-dione;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 164970559
2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
CID 145450912
5-ethylindeno[1,2-b]carbazol-11-one
CID 135020105
(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
CID 141383636
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
CID 139791344
6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
CID 14677288
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

Frequently Asked Questions

What is the IUPAC name of 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 163818727) is 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione is CCN1c2cc3c(=O)c4cccc(-c5ccccc5)c4n(CC)c3cc2C(=O)C2C=CC=C(c3ccccc3)C21.
What is the InChIKey of 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NTOUUAGLUQTEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O2/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/h5-22,27,33H,3-4H2,1-2H3.
What are the key properties of 5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione?
5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 522.65 g/mol, XLogP of 7.50, 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-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 163818727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).