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

C72H42N4O6 — CID 122229758

IUPAC6-[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
SMILESO=C1c2cccc3c(-c4ccc(N(c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)cc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C72H42N4O6/c77-67-58-22-10-19-55-52(37-40-61(64(55)58)70(80)74(67)46-13-4-1-5-14-46)43-25-31-49(32-26-43)73(50-33-27-44(28-34-50)53-38-41-62-65-56(53)20-11-23-59(65)68(78)75(71(62)81)47-15-6-2-7-16-47)51-35-29-45(30-36-51)54-39-42-63-66-57(54)21-12-24-60(66)69(79)76(72(63)82)48-17-8-3-9-18-48/h1-42H
InChIKeyFHLFDCMOBIFEPR-UHFFFAOYSA-N
MW1059.15 g/mol
LogP16.02
Rot. Bonds9

About 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

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 (PubChem CID 122229758) has the molecular formula C72H42N4O6 and a molecular weight of 1059.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID122229758
Molecular FormulaC72H42N4O6
Molecular Weight1059.15 g/mol
Exact Mass1058.31
IUPAC Name6-[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
SMILESO=C1c2cccc3c(-c4ccc(N(c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)cc4)ccc(c23)C(=O)N1c1ccccc1
InChIInChI=1S/C72H42N4O6/c77-67-58-22-10-19-55-52(37-40-61(64(55)58)70(80)74(67)46-13-4-1-5-14-46)43-25-31-49(32-26-43)73(50-33-27-44(28-34-50)53-38-41-62-65-56(53)20-11-23-59(65)68(78)75(71(62)81)47-15-6-2-7-16-47)51-35-29-45(30-36-51)54-39-42-63-66-57(54)21-12-24-60(66)69(79)76(72(63)82)48-17-8-3-9-18-48/h1-42H
InChIKeyFHLFDCMOBIFEPR-UHFFFAOYSA-N
XLogP16.02
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.15
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-(3,4-diaminophenyl)-6-[4-(N-phenylanilino)phenyl]benzo[de]isoquinoline-1,3-dione
CID 170899501
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
potassium 4-[4-[1,3-dioxo-6-[4-(N-phenylanilino)phenyl]benzo[de]isoquinolin-2-yl]phenyl]butanoate
CID 166748326
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
6-(3-hydroxy-2-phenylphenyl)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 163982470
(3,5-difluorophenyl) 4-[4-[1,3-dioxo-6-[4-(N-phenylanilino)phenyl]benzo[de]isoquinolin-2-yl]phenyl]butanoate
CID 165369593
6-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-2-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
CID 177498733
7-methyl-18-[4-(N-phenylanilino)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 153437175
4-[2-oxo-6-[4-(N-phenylanilino)phenyl]benzo[cd]indol-1-yl]butanenitrile
CID 67819435

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2cccc3c(-c4ccc(N(c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)c5ccc(-c6ccc7c8c(cccc68)C(=O)N(c6ccccc6)C7=O)cc5)cc4)ccc(c23)C(=O)N1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FHLFDCMOBIFEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N4O6/c77-67-58-22-10-19-55-52(37-40-61(64(55)58)70(80)74(67)46-13-4-1-5-14-46)43-25-31-49(32-26-43)73(50-33-27-44(28-34-50)53-38-41-62-65-56(53)20-11-23-59(65)68(78)75(71(62)81)47-15-6-2-7-16-47)51-35-29-45(30-36-51)54-39-42-63-66-57(54)21-12-24-60(66)69(79)76(72(63)82)48-17-8-3-9-18-48/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 1059.15 g/mol, XLogP of 16.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).