1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione

C64H37N5O7 — CID 156568765

About 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione

1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione (PubChem CID 156568765) has the molecular formula C64H37N5O7 and a molecular weight of 988.03 g/mol. Its IUPAC name is 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione.

Molecular Properties

• Compound Name: 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione
• PubChem CID: 156568765
• Molecular Formula: C64H37N5O7
• Molecular Weight: 988.03 g/mol
• Exact Mass: 987.27
• IUPAC Name: 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione
• SMILES: O=c1c(=O)n(-c2ccc3c(c2)Oc2ccccc2N3c2cccc(-c3ccc4c(c3)oc3c(-n5c(=O)c(=O)n(-c6cccc7c6oc6ccccc67)c6ccccc65)cccc34)c2)c2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C64H37N5O7/c70-61-62(71)67(48-23-6-5-22-47(48)66(61)40-16-2-1-3-17-40)42-32-34-52-58(37-42)74-56-30-11-9-26-51(56)65(52)41-18-12-15-38(35-41)39-31-33-44-46-21-14-28-54(60(46)76-57(44)36-39)69-50-25-8-7-24-49(50)68(63(72)64(69)73)53-27-13-20-45-43-19-4-10-29-55(43)75-59(45)53/h1-37H
• InChIKey: AXKTWUPAEKKRER-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 126.75 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	988.03
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione?

The IUPAC name of 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione (CID 156568765) is 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione.

What is the SMILES notation for 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione?

The canonical SMILES for 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione is O=c1c(=O)n(-c2ccc3c(c2)Oc2ccccc2N3c2cccc(-c3ccc4c(c3)oc3c(-n5c(=O)c(=O)n(-c6cccc7c6oc6ccccc67)c6ccccc65)cccc34)c2)c2ccccc2n1-c1ccccc1.

What is the InChIKey of 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione?

The InChIKey is AXKTWUPAEKKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N5O7/c70-61-62(71)67(48-23-6-5-22-47(48)66(61)40-16-2-1-3-17-40)42-32-34-52-58(37-42)74-56-30-11-9-26-51(56)65(52)41-18-12-15-38(35-41)39-31-33-44-46-21-14-28-54(60(46)76-57(44)36-39)69-50-25-8-7-24-49(50)68(63(72)64(69)73)53-27-13-20-45-43-19-4-10-29-55(43)75-59(45)53/h1-37H.

What are the key properties of 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione?

1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione has a molecular weight of 988.03 g/mol, XLogP of 13.64, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione is sourced from PubChem (CID 156568765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).