2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione

C27H16N2O2 — CID 137492195

IUPAC2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccccn4)ccc(c23)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C27H16N2O2/c30-26-22-9-5-8-21-20(24-10-3-4-15-28-24)13-14-23(25(21)22)27(31)29(26)19-12-11-17-6-1-2-7-18(17)16-19/h1-16H
InChIKeyKWSOBFXLZWRXAU-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.86
Rot. Bonds2

About 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione

2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 137492195) has the molecular formula C27H16N2O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID137492195
Molecular FormulaC27H16N2O2
Molecular Weight400.44 g/mol
Exact Mass400.12
IUPAC Name2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccccn4)ccc(c23)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C27H16N2O2/c30-26-22-9-5-8-21-20(24-10-3-4-15-28-24)13-14-23(25(21)22)27(31)29(26)19-12-11-17-6-1-2-7-18(17)16-19/h1-16H
InChIKeyKWSOBFXLZWRXAU-UHFFFAOYSA-N
XLogP5.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,13-dinaphthalen-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132869360
6-methoxy-2-naphthalen-2-ylbenzo[de]isoquinoline-1,3-dione
CID 11428149
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
6-naphthalen-2-yl-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 831037
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
5,6-dichloro-2-naphthalen-2-ylisoindole-1,3-dione
CID 683213
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
2-hexahelicen-1-ylpyridine
CID 146019951
12-(2,6-dipyridin-2-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145009975
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2-(3-bromophenyl)-6-(pyridin-2-ylmethylamino)benzo[de]isoquinoline-1,3-dione
CID 11655478
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione (CID 137492195) is 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(-c4ccccn4)ccc(c23)C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is KWSOBFXLZWRXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N2O2/c30-26-22-9-5-8-21-20(24-10-3-4-15-28-24)13-14-23(25(21)22)27(31)29(26)19-12-11-17-6-1-2-7-18(17)16-19/h1-16H.
What are the key properties of 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione?
2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 400.44 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 137492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).