8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione

C82H34N16O8 — CID 146248693

IUPAC8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione
SMILESO=C1C(=O)c2nc(-c3c4ccccc4c(-c4cnc5c(n4)C(=O)C(=O)c4nc(-c6c7ccccc7c(-c7cnc8c(n7)C(=O)C(=O)c7nc(-c9c%10ccccc%10c(-c%10cnc%11c(n%10)C(=O)C(=O)c%10nccnc%10-%11)c%10ccccc9%10)cnc7-8)c7ccccc67)cnc4-5)c4ccccc34)cnc2-c2nccnc21
InChIInChI=1S/C82H34N16O8/c99-75-67-59(83-25-27-85-67)61-69(77(75)101)93-47(29-87-61)53-35-13-1-5-17-39(35)55(40-18-6-2-14-36(40)53)49-31-89-63-65-73(81(105)79(103)71(63)95-49)97-51(33-91-65)57-43-21-9-11-23-45(43)58(46-24-12-10-22-44(46)57)52-34-92-66-64-72(80(104)82(106)74(66)98-52)96-50(32-90-64)56-41-19-7-3-15-37(41)54(38-16-4-8-20-42(38)56)48-30-88-62-60-68(86-28-26-84-60)76(100)78(102)70(62)94-48/h1-34H
InChIKeyMGAXOUFHIWJLPR-UHFFFAOYSA-N
MW1371.28 g/mol
LogP13.11
Rot. Bonds6

About 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione

8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione (PubChem CID 146248693) has the molecular formula C82H34N16O8 and a molecular weight of 1371.28 g/mol. Its IUPAC name is 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione.

Molecular Properties

Compound Name8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione
PubChem CID146248693
Molecular FormulaC82H34N16O8
Molecular Weight1371.28 g/mol
Exact Mass1370.27
IUPAC Name8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione
SMILESO=C1C(=O)c2nc(-c3c4ccccc4c(-c4cnc5c(n4)C(=O)C(=O)c4nc(-c6c7ccccc7c(-c7cnc8c(n7)C(=O)C(=O)c7nc(-c9c%10ccccc%10c(-c%10cnc%11c(n%10)C(=O)C(=O)c%10nccnc%10-%11)c%10ccccc9%10)cnc7-8)c7ccccc67)cnc4-5)c4ccccc34)cnc2-c2nccnc21
InChIInChI=1S/C82H34N16O8/c99-75-67-59(83-25-27-85-67)61-69(77(75)101)93-47(29-87-61)53-35-13-1-5-17-39(35)55(40-18-6-2-14-36(40)53)49-31-89-63-65-73(81(105)79(103)71(63)95-49)97-51(33-91-65)57-43-21-9-11-23-45(43)58(46-24-12-10-22-44(46)57)52-34-92-66-64-72(80(104)82(106)74(66)98-52)96-50(32-90-64)56-41-19-7-3-15-37(41)54(38-16-4-8-20-42(38)56)48-30-88-62-60-68(86-28-26-84-60)76(100)78(102)70(62)94-48/h1-34H
InChIKeyMGAXOUFHIWJLPR-UHFFFAOYSA-N
XLogP13.11
TPSA342.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.28
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione?
The IUPAC name of 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione (CID 146248693) is 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione.
What is the SMILES notation for 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione?
The canonical SMILES for 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione is O=C1C(=O)c2nc(-c3c4ccccc4c(-c4cnc5c(n4)C(=O)C(=O)c4nc(-c6c7ccccc7c(-c7cnc8c(n7)C(=O)C(=O)c7nc(-c9c%10ccccc%10c(-c%10cnc%11c(n%10)C(=O)C(=O)c%10nccnc%10-%11)c%10ccccc9%10)cnc7-8)c7ccccc67)cnc4-5)c4ccccc34)cnc2-c2nccnc21.
What is the InChIKey of 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione?
The InChIKey is MGAXOUFHIWJLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H34N16O8/c99-75-67-59(83-25-27-85-67)61-69(77(75)101)93-47(29-87-61)53-35-13-1-5-17-39(35)55(40-18-6-2-14-36(40)53)49-31-89-63-65-73(81(105)79(103)71(63)95-49)97-51(33-91-65)57-43-21-9-11-23-45(43)58(46-24-12-10-22-44(46)57)52-34-92-66-64-72(80(104)82(106)74(66)98-52)96-50(32-90-64)56-41-19-7-3-15-37(41)54(38-16-4-8-20-42(38)56)48-30-88-62-60-68(86-28-26-84-60)76(100)78(102)70(62)94-48/h1-34H.
What are the key properties of 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione?
8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione has a molecular weight of 1371.28 g/mol, XLogP of 13.11, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-3-[10-[8-[10-(5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl)anthracen-9-yl]-5,6-dioxopyrazino[2,3-f]quinoxalin-3-yl]anthracen-9-yl]pyrazino[2,3-f]quinoxaline-5,6-dione is sourced from PubChem (CID 146248693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).