(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone

C33H21NO2 — CID 22023975

IUPAC(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc3ccc(C(=O)c4ccccc4)cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C33H21NO2/c35-32(23-12-6-2-7-13-23)25-16-18-29-27(20-25)31(22-10-4-1-5-11-22)28-21-26(17-19-30(28)34-29)33(36)24-14-8-3-9-15-24/h1-21H
InChIKeyFGCITSDNEKFVTN-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.52
Rot. Bonds5

About (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone

(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone (PubChem CID 22023975) has the molecular formula C33H21NO2 and a molecular weight of 463.54 g/mol. Its IUPAC name is (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone
PubChem CID22023975
Molecular FormulaC33H21NO2
Molecular Weight463.54 g/mol
Exact Mass463.16
IUPAC Name(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc3ccc(C(=O)c4ccccc4)cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C33H21NO2/c35-32(23-12-6-2-7-13-23)25-16-18-29-27(20-25)31(22-10-4-1-5-11-22)28-21-26(17-19-30(28)34-29)33(36)24-14-8-3-9-15-24/h1-21H
InChIKeyFGCITSDNEKFVTN-UHFFFAOYSA-N
XLogP7.52
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.52
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-benzoyl-9-phenylacridin-2-yl)-phenylmethanone?
The IUPAC name of (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone (CID 22023975) is (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone?
The canonical SMILES for (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2nc3ccc(C(=O)c4ccccc4)cc3c(-c3ccccc3)c2c1.
What is the InChIKey of (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone?
The InChIKey is FGCITSDNEKFVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO2/c35-32(23-12-6-2-7-13-23)25-16-18-29-27(20-25)31(22-10-4-1-5-11-22)28-21-26(17-19-30(28)34-29)33(36)24-14-8-3-9-15-24/h1-21H.
What are the key properties of (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone?
(7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone has a molecular weight of 463.54 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzoyl-9-phenylacridin-2-yl)-phenylmethanone is sourced from PubChem (CID 22023975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).