6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione

C30H17NO3 — CID 137492261

IUPAC6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccc5c(c4)oc4ccccc45)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C30H17NO3/c32-29-24-11-6-10-23-20(18-13-14-22-21-9-4-5-12-26(21)34-27(22)17-18)15-16-25(28(23)24)30(33)31(29)19-7-2-1-3-8-19/h1-17H
InChIKeyYUFRIINUJXZMTI-UHFFFAOYSA-N
MW439.47 g/mol
LogP7.21
Rot. Bonds2

About 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione

6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 137492261) has the molecular formula C30H17NO3 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID137492261
Molecular FormulaC30H17NO3
Molecular Weight439.47 g/mol
Exact Mass439.12
IUPAC Name6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(-c4ccc5c(c4)oc4ccccc45)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C30H17NO3/c32-29-24-11-6-10-23-20(18-13-14-22-21-9-4-5-12-26(21)34-27(22)17-18)15-16-25(28(23)24)30(33)31(29)19-7-2-1-3-8-19/h1-17H
InChIKeyYUFRIINUJXZMTI-UHFFFAOYSA-N
XLogP7.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 57.21
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-[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-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
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-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
CID 143904910
3,19-di(dibenzofuran-3-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317286
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
CID 7550711
4-dibenzofuran-3-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122599853

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione (CID 137492261) is 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(-c4ccc5c(c4)oc4ccccc45)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is YUFRIINUJXZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO3/c32-29-24-11-6-10-23-20(18-13-14-22-21-9-4-5-12-26(21)34-27(22)17-18)15-16-25(28(23)24)30(33)31(29)19-7-2-1-3-8-19/h1-17H.
What are the key properties of 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione?
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 439.47 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 137492261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).