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

C32H20N2O2 — CID 146333918

IUPAC5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)c(=O)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C32H20N2O2/c35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-20-30-26(19-25(29)31)32(36)24-16-8-10-18-28(24)34(30)22-13-5-2-6-14-22/h1-20H
InChIKeyITWBGORVZIOPEI-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.60
Rot. Bonds2

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

5,7-diphenylquinolino[3,2-b]acridine-12,14-dione (PubChem CID 146333918) has the molecular formula C32H20N2O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione.

Molecular Properties

Compound Name5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
PubChem CID146333918
Molecular FormulaC32H20N2O2
Molecular Weight464.52 g/mol
Exact Mass464.15
IUPAC Name5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)c(=O)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C32H20N2O2/c35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-20-30-26(19-25(29)31)32(36)24-16-8-10-18-28(24)34(30)22-13-5-2-6-14-22/h1-20H
InChIKeyITWBGORVZIOPEI-UHFFFAOYSA-N
XLogP6.60
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.60
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

7-oxo-5,12-diphenylquinolino[3,2-b]phenazin-7-ium-14-one
CID 59002279
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
3-fluoro-10-(4-phenylphenyl)acridin-9-one
CID 176670421
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-9-one
CID 89182990
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
11,15,20-triphenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaene-16-thione
CID 168933489

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione?
The IUPAC name of 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione (CID 146333918) is 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione.
What is the SMILES notation for 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione?
The canonical SMILES for 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione is O=c1c2ccccc2n(-c2ccccc2)c2cc3c(cc12)c(=O)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione?
The InChIKey is ITWBGORVZIOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O2/c35-31-23-15-7-9-17-27(23)33(21-11-3-1-4-12-21)29-20-30-26(19-25(29)31)32(36)24-16-8-10-18-28(24)34(30)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione?
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione has a molecular weight of 464.52 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenylquinolino[3,2-b]acridine-12,14-dione is sourced from PubChem (CID 146333918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).