1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione

C40H25N5O2 — CID 122491309

About 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione

1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione (PubChem CID 122491309) has the molecular formula C40H25N5O2 and a molecular weight of 607.67 g/mol. Its IUPAC name is 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione.

Molecular Properties

• Compound Name: 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione
• PubChem CID: 122491309
• Molecular Formula: C40H25N5O2
• Molecular Weight: 607.67 g/mol
• Exact Mass: 607.20
• IUPAC Name: 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione
• SMILES: O=c1c(=O)n(-c2ccccc2)c2c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cnc3ccc2n1-c1ccccc1
• InChI: InChI=1S/C40H25N5O2/c46-39-40(47)45(29-16-8-3-9-17-29)38-36(44(39)28-14-6-2-7-15-28)23-21-32-37(38)42-33(25-41-32)26-20-22-35-31(24-26)30-18-10-11-19-34(30)43(35)27-12-4-1-5-13-27/h1-25H
• InChIKey: ZJFDCYSQXDMROI-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 74.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.67
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione?

The IUPAC name of 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione (CID 122491309) is 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione.

What is the SMILES notation for 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione?

The canonical SMILES for 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione is O=c1c(=O)n(-c2ccccc2)c2c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cnc3ccc2n1-c1ccccc1.

What is the InChIKey of 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione?

The InChIKey is ZJFDCYSQXDMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O2/c46-39-40(47)45(29-16-8-3-9-17-29)38-36(44(39)28-14-6-2-7-15-28)23-21-32-37(38)42-33(25-41-32)26-20-22-35-31(24-26)30-18-10-11-19-34(30)43(35)27-12-4-1-5-13-27/h1-25H.

What are the key properties of 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione?

1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione has a molecular weight of 607.67 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diphenyl-9-(9-phenylcarbazol-3-yl)pyrazino[2,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 122491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).