10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine

C54H32N8O — CID 129089096

About 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine

10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine (PubChem CID 129089096) has the molecular formula C54H32N8O and a molecular weight of 808.91 g/mol. Its IUPAC name is 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine
• PubChem CID: 129089096
• Molecular Formula: C54H32N8O
• Molecular Weight: 808.91 g/mol
• Exact Mass: 808.27
• IUPAC Name: 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-c4cccc(-c5cnccn5)c4)cnc23)cc1
• InChI: InChI=1S/C54H32N8O/c1-2-9-33(10-3-1)35-17-19-45-40(26-35)41-28-38(61-47-13-4-6-15-49(47)63-50-16-7-5-14-48(50)61)18-20-46(41)62(45)39-29-43-52-51(57-23-24-58-52)42-27-37(30-59-53(42)54(43)60-31-39)34-11-8-12-36(25-34)44-32-55-21-22-56-44/h1-32H
• InChIKey: FZPFJEKFASRIRI-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 94.74 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.91
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine?

The IUPAC name of 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine (CID 129089096) is 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine.

What is the SMILES notation for 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine?

The canonical SMILES for 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine is c1ccc(-c2ccc3c(c2)c2cc(N4c5ccccc5Oc5ccccc54)ccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-c4cccc(-c5cnccn5)c4)cnc23)cc1.

What is the InChIKey of 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine?

The InChIKey is FZPFJEKFASRIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N8O/c1-2-9-33(10-3-1)35-17-19-45-40(26-35)41-28-38(61-47-13-4-6-15-49(47)63-50-16-7-5-14-48(50)61)18-20-46(41)62(45)39-29-43-52-51(57-23-24-58-52)42-27-37(30-59-53(42)54(43)60-31-39)34-11-8-12-36(25-34)44-32-55-21-22-56-44/h1-32H.

What are the key properties of 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine?

10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine has a molecular weight of 808.91 g/mol, XLogP of 13.19, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-phenyl-9-[11-(3-pyrazin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-6-yl]carbazol-3-yl]phenoxazine is sourced from PubChem (CID 129089096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).