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

C58H34N2O4 — CID 72565697

IUPAC2-[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
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(-c2ccc3cc(C=Cc4ccc5cc(-c6ccc(N7C(=O)c8cccc9cccc(c89)C7=O)cc6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C58H34N2O4/c61-55-49-9-1-5-39-6-2-10-50(53(39)49)56(62)59(55)47-27-23-37(24-28-47)43-21-19-41-31-35(15-17-45(41)33-43)13-14-36-16-18-46-34-44(22-20-42(46)32-36)38-25-29-48(30-26-38)60-57(63)51-11-3-7-40-8-4-12-52(54(40)51)58(60)64/h1-34H
InChIKeyKFJYSQGLSOZSEF-UHFFFAOYSA-N
MW822.92 g/mol
LogP13.40
Rot. Bonds6

About 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

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 (PubChem CID 72565697) has the molecular formula C58H34N2O4 and a molecular weight of 822.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID72565697
Molecular FormulaC58H34N2O4
Molecular Weight822.92 g/mol
Exact Mass822.25
IUPAC Name2-[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
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(-c2ccc3cc(C=Cc4ccc5cc(-c6ccc(N7C(=O)c8cccc9cccc(c89)C7=O)cc6)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C58H34N2O4/c61-55-49-9-1-5-39-6-2-10-50(53(39)49)56(62)59(55)47-27-23-37(24-28-47)43-21-19-41-31-35(15-17-45(41)33-43)13-14-36-16-18-46-34-44(22-20-42(46)32-36)38-25-29-48(30-26-38)60-57(63)51-11-3-7-40-8-4-12-52(54(40)51)58(60)64/h1-34H
InChIKeyKFJYSQGLSOZSEF-UHFFFAOYSA-N
XLogP13.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.92
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[4-[5-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]-2-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 59815303
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
2-(3-deuteriocarbonylphenyl)benzo[de]isoquinoline-1,3-dione
CID 59970412
1-(4-phenylphenyl)benzo[cd]indol-2-one
CID 629397
2-(4-aminosulfanylphenyl)benzo[de]isoquinoline-1,3-dione
CID 123241495
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
2-[2-chloro-4-[3-chloro-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 2845100
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
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(-c2ccc3cc(C=Cc4ccc5cc(-c6ccc(N7C(=O)c8cccc9cccc(c89)C7=O)cc6)ccc5c4)ccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is KFJYSQGLSOZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O4/c61-55-49-9-1-5-39-6-2-10-50(53(39)49)56(62)59(55)47-27-23-37(24-28-47)43-21-19-41-31-35(15-17-45(41)33-43)13-14-36-16-18-46-34-44(22-20-42(46)32-36)38-25-29-48(30-26-38)60-57(63)51-11-3-7-40-8-4-12-52(54(40)51)58(60)64/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 822.92 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72565697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).