2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione

C34H21NO2 — CID 137492354

IUPAC2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C34H21NO2/c36-33-30-13-7-12-29-28(18-19-31(32(29)30)34(37)35(33)27-10-5-2-6-11-27)26-17-16-24-20-23(14-15-25(24)21-26)22-8-3-1-4-9-22/h1-21H
InChIKeyADAQIZBCLNHUBL-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.13
Rot. Bonds3

About 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione

2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 137492354) has the molecular formula C34H21NO2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID137492354
Molecular FormulaC34H21NO2
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C34H21NO2/c36-33-30-13-7-12-29-28(18-19-31(32(29)30)34(37)35(33)27-10-5-2-6-11-27)26-17-16-24-20-23(14-15-25(24)21-26)22-8-3-1-4-9-22/h1-21H
InChIKeyADAQIZBCLNHUBL-UHFFFAOYSA-N
XLogP8.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
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
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
2-phenyl-6-(5-phenylthiophen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 177498171
6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 163982470
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
2-[4-[6-[2-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 72565697
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione (CID 137492354) is 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(-c4ccc5cc(-c6ccccc6)ccc5c4)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is ADAQIZBCLNHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NO2/c36-33-30-13-7-12-29-28(18-19-31(32(29)30)34(37)35(33)27-10-5-2-6-11-27)26-17-16-24-20-23(14-15-25(24)21-26)22-8-3-1-4-9-22/h1-21H.
What are the key properties of 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione?
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 475.55 g/mol, XLogP of 8.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 137492354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).