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

C88H50N4O8 — CID 158544126

IUPAC6-[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
SMILESO=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)c5ccccc45)ccc(c23)C(=O)N1c1ccccc1.O=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)cc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C46H26N2O4.C42H24N2O4/c49-43-37-19-9-17-35-33(23-25-39(41(35)37)45(51)47(43)27-11-3-1-4-12-27)31-21-22-32(30-16-8-7-15-29(30)31)34-24-26-40-42-36(34)18-10-20-38(42)44(50)48(46(40)52)28-13-5-2-6-14-28;45-39-33-15-7-13-31-29(21-23-35(37(31)33)41(47)43(39)27-9-3-1-4-10-27)25-17-19-26(20-18-25)30-22-24-36-38-32(30)14-8-16-34(38)40(46)44(42(36)48)28-11-5-2-6-12-28/h1-26H;1-24H
InChIKeyHOWTXNHVMQWGAE-UHFFFAOYSA-N
MW1291.39 g/mol
LogP19.01
Rot. Bonds8

About 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

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 (PubChem CID 158544126) has the molecular formula C88H50N4O8 and a molecular weight of 1291.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158544126
Molecular FormulaC88H50N4O8
Molecular Weight1291.39 g/mol
Exact Mass1290.36
IUPAC Name6-[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
SMILESO=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)c5ccccc45)ccc(c23)C(=O)N1c1ccccc1.O=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)cc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C46H26N2O4.C42H24N2O4/c49-43-37-19-9-17-35-33(23-25-39(41(35)37)45(51)47(43)27-11-3-1-4-12-27)31-21-22-32(30-16-8-7-15-29(30)31)34-24-26-40-42-36(34)18-10-20-38(42)44(50)48(46(40)52)28-13-5-2-6-14-28;45-39-33-15-7-13-31-29(21-23-35(37(31)33)41(47)43(39)27-9-3-1-4-10-27)25-17-19-26(20-18-25)30-22-24-36-38-32(30)14-8-16-34(38)40(46)44(42(36)48)28-11-5-2-6-12-28/h1-26H;1-24H
InChIKeyHOWTXNHVMQWGAE-UHFFFAOYSA-N
XLogP19.01
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.39
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 163982470
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-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
2-(3,4-diaminophenyl)-6-[4-(N-phenylanilino)phenyl]benzo[de]isoquinoline-1,3-dione
CID 170899501
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 11566147
potassium 4-[4-[1,3-dioxo-6-[4-(N-phenylanilino)phenyl]benzo[de]isoquinolin-2-yl]phenyl]butanoate
CID 166748326
6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 155773610
2-[3,5-bis(4-ethenylphenyl)phenyl]-3-imino-7-phenylbenzo[de]isoquinolin-1-one
CID 142620428

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)c5ccccc45)ccc(c23)C(=O)N1c1ccccc1.O=C1c2cccc3c(-c4ccc(-c5ccc6c7c(cccc57)C(=O)N(c5ccccc5)C6=O)cc4)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is HOWTXNHVMQWGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O4.C42H24N2O4/c49-43-37-19-9-17-35-33(23-25-39(41(35)37)45(51)47(43)27-11-3-1-4-12-27)31-21-22-32(30-16-8-7-15-29(30)31)34-24-26-40-42-36(34)18-10-20-38(42)44(50)48(46(40)52)28-13-5-2-6-14-28;45-39-33-15-7-13-31-29(21-23-35(37(31)33)41(47)43(39)27-9-3-1-4-10-27)25-17-19-26(20-18-25)30-22-24-36-38-32(30)14-8-16-34(38)40(46)44(42(36)48)28-11-5-2-6-12-28/h1-26H;1-24H.
What are the key properties of 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?
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 has a molecular weight of 1291.39 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158544126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).