2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

C38H24N2O5 — CID 139788390

IUPAC2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc(Oc3ccccc3)ccc2[nH]c2cc3c(=O)c4cc(Oc5ccccc5)cc(Oc5ccccc5)c4[nH]c3cc12
InChIInChI=1S/C38H24N2O5/c41-37-28-18-26(43-23-10-4-1-5-11-23)16-17-32(28)39-33-21-30-34(22-29(33)37)40-36-31(38(30)42)19-27(44-24-12-6-2-7-13-24)20-35(36)45-25-14-8-3-9-15-25/h1-22H,(H,39,41)(H,40,42)
InChIKeyNBSQAHJEZLIXSC-UHFFFAOYSA-N
MW588.62 g/mol
LogP9.05
Rot. Bonds6

About 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (PubChem CID 139788390) has the molecular formula C38H24N2O5 and a molecular weight of 588.62 g/mol. Its IUPAC name is 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
PubChem CID139788390
Molecular FormulaC38H24N2O5
Molecular Weight588.62 g/mol
Exact Mass588.17
IUPAC Name2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2cc(Oc3ccccc3)ccc2[nH]c2cc3c(=O)c4cc(Oc5ccccc5)cc(Oc5ccccc5)c4[nH]c3cc12
InChIInChI=1S/C38H24N2O5/c41-37-28-18-26(43-23-10-4-1-5-11-23)16-17-32(28)39-33-21-30-34(22-29(33)37)40-36-31(38(30)42)19-27(44-24-12-6-2-7-13-24)20-35(36)45-25-14-8-3-9-15-25/h1-22H,(H,39,41)(H,40,42)
InChIKeyNBSQAHJEZLIXSC-UHFFFAOYSA-N
XLogP9.05
TPSA93.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.62
LogP ≤ 59.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione with MolForge

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Launch Full Analysis

Related Compounds

2-phenoxy-10H-acridin-9-one
CID 14029103
4,11-bis[4-(2-phenylpropan-2-yl)phenoxy]-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788407
3,10-bis(4-methoxyphenoxy)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788379
6-fluoro-3-phenoxy-1-phenylmethoxy-9H-carbazole
CID 166768555
2,4,9-trimethoxy-12-phenyl-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139791356
9H-carbazole;phenoxybenzene
CID 160983526
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796238
2,7-diethoxy-10H-acridin-9-one
CID 163923657
4-phenoxy-6-phenyl-1H-quinolin-2-one
CID 59237326
6-methyl-4-phenoxy-1H-quinolin-2-one
CID 11989514

Frequently Asked Questions

What is the IUPAC name of 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione (CID 139788390) is 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is O=c1c2cc(Oc3ccccc3)ccc2[nH]c2cc3c(=O)c4cc(Oc5ccccc5)cc(Oc5ccccc5)c4[nH]c3cc12.
What is the InChIKey of 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
The InChIKey is NBSQAHJEZLIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O5/c41-37-28-18-26(43-23-10-4-1-5-11-23)16-17-32(28)39-33-21-30-34(22-29(33)37)40-36-31(38(30)42)19-27(44-24-12-6-2-7-13-24)20-35(36)45-25-14-8-3-9-15-25/h1-22H,(H,39,41)(H,40,42).
What are the key properties of 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione?
2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione has a molecular weight of 588.62 g/mol, XLogP of 9.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 139788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).