3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione

C19H11NO3 — CID 101485547

IUPAC3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
SMILESO=C1c2ccccc2C(=O)c2c1cc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C19H11NO3/c21-17-12-8-4-5-9-13(12)18(22)16-14(17)10-15(20-19(16)23)11-6-2-1-3-7-11/h1-10H,(H,20,23)
InChIKeyCGKHZWBDRXLJNB-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.82
Rot. Bonds1

About 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione

3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione (PubChem CID 101485547) has the molecular formula C19H11NO3 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione.

Molecular Properties

Compound Name3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
PubChem CID101485547
Molecular FormulaC19H11NO3
Molecular Weight301.30 g/mol
Exact Mass301.07
IUPAC Name3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
SMILESO=C1c2ccccc2C(=O)c2c1cc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C19H11NO3/c21-17-12-8-4-5-9-13(12)18(22)16-14(17)10-15(20-19(16)23)11-6-2-1-3-7-11/h1-10H,(H,20,23)
InChIKeyCGKHZWBDRXLJNB-UHFFFAOYSA-N
XLogP2.82
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 621416
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
2,3-diphenylfluoren-9-one
CID 102493574
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767973
3-chloro-6-phenyl-1H-pyridin-2-one
CID 130883515
3-amino-6-phenyl-1H-pyridin-2-one
CID 22405493
1H-benzo[g]quinazoline-2,4,5,10-tetrone
CID 69220020
5-phenylbenzo[b]fluoren-11-one
CID 10494864
4,6-diphenyl-1H-pyridin-2-one
CID 3846201
bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione?
The IUPAC name of 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione (CID 101485547) is 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione.
What is the SMILES notation for 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione?
The canonical SMILES for 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione is O=C1c2ccccc2C(=O)c2c1cc(-c1ccccc1)[nH]c2=O.
What is the InChIKey of 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione?
The InChIKey is CGKHZWBDRXLJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO3/c21-17-12-8-4-5-9-13(12)18(22)16-14(17)10-15(20-19(16)23)11-6-2-1-3-7-11/h1-10H,(H,20,23).
What are the key properties of 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione?
3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione has a molecular weight of 301.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione is sourced from PubChem (CID 101485547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).