[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone

C33H18Cl3NO2 — CID 22023979

IUPAC[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccc2nc3ccc(C(=O)c4ccccc4Cl)cc3c(-c3ccccc3Cl)c2c1)c1ccccc1Cl
InChIInChI=1S/C33H18Cl3NO2/c34-26-10-4-1-7-21(26)31-24-17-19(32(38)22-8-2-5-11-27(22)35)13-15-29(24)37-30-16-14-20(18-25(30)31)33(39)23-9-3-6-12-28(23)36/h1-18H
InChIKeyAIMGAELMBCELHU-UHFFFAOYSA-N
MW566.87 g/mol
LogP9.48
Rot. Bonds5

About [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone

[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone (PubChem CID 22023979) has the molecular formula C33H18Cl3NO2 and a molecular weight of 566.87 g/mol. Its IUPAC name is [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone
PubChem CID22023979
Molecular FormulaC33H18Cl3NO2
Molecular Weight566.87 g/mol
Exact Mass565.04
IUPAC Name[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccc2nc3ccc(C(=O)c4ccccc4Cl)cc3c(-c3ccccc3Cl)c2c1)c1ccccc1Cl
InChIInChI=1S/C33H18Cl3NO2/c34-26-10-4-1-7-21(26)31-24-17-19(32(38)22-8-2-5-11-27(22)35)13-15-29(24)37-30-16-14-20(18-25(30)31)33(39)23-9-3-6-12-28(23)36/h1-18H
InChIKeyAIMGAELMBCELHU-UHFFFAOYSA-N
XLogP9.48
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.87
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone (CID 22023979) is [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone is O=C(c1ccc2nc3ccc(C(=O)c4ccccc4Cl)cc3c(-c3ccccc3Cl)c2c1)c1ccccc1Cl.
What is the InChIKey of [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone?
The InChIKey is AIMGAELMBCELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18Cl3NO2/c34-26-10-4-1-7-21(26)31-24-17-19(32(38)22-8-2-5-11-27(22)35)13-15-29(24)37-30-16-14-20(18-25(30)31)33(39)23-9-3-6-12-28(23)36/h1-18H.
What are the key properties of [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone?
[7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone has a molecular weight of 566.87 g/mol, XLogP of 9.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 22023979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).