6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione

C30H19NO3 — CID 163982470

IUPAC6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4cccc(O)c4-c4ccccc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C30H19NO3/c32-26-16-8-14-22(27(26)19-9-3-1-4-10-19)21-17-18-25-28-23(21)13-7-15-24(28)29(33)31(30(25)34)20-11-5-2-6-12-20/h1-18,32H
InChIKeySZPZTMQKCNSISR-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.68
Rot. Bonds3

About 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione

6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 163982470) has the molecular formula C30H19NO3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID163982470
Molecular FormulaC30H19NO3
Molecular Weight441.49 g/mol
Exact Mass441.14
IUPAC Name6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4cccc(O)c4-c4ccccc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C30H19NO3/c32-26-16-8-14-22(27(26)19-9-3-1-4-10-19)21-17-18-25-28-23(21)13-7-15-24(28)29(33)31(30(25)34)20-11-5-2-6-12-20/h1-18,32H
InChIKeySZPZTMQKCNSISR-UHFFFAOYSA-N
XLogP6.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)naphthalen-1-yl]-2-phenylbenzo[de]isoquinoline-1,3-dione;6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 158544126
2-phenyl-6-(5-phenylthiophen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 177498171
6-[4-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)-N-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]anilino]phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 122229758
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
6-(7-hepta-2,4,6-trien-3-yl-12-phenylbenzo[k]fluoranthen-3-yl)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 123589149
4,6-dihydroxy-5-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 5409731
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 11566147
2-(4-carboxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
CID 1102906
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
6-amino-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 3588198

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione (CID 163982470) is 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(-c4cccc(O)c4-c4ccccc4)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is SZPZTMQKCNSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO3/c32-26-16-8-14-22(27(26)19-9-3-1-4-10-19)21-17-18-25-28-23(21)13-7-15-24(28)29(33)31(30(25)34)20-11-5-2-6-12-20/h1-18,32H.
What are the key properties of 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione?
6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 441.49 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 163982470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).