10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

C64H40N2O2 — CID 59220509

About 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (PubChem CID 59220509) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
• PubChem CID: 59220509
• Molecular Formula: C64H40N2O2
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.31
• IUPAC Name: 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
• SMILES: c1ccc(-c2cc3ccccc3cc2-c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1
• InChI: InChI=1S/C64H40N2O2/c1-2-17-42(18-3-1)51-37-43-20-4-5-21-44(43)38-52(51)64-50-36-34-45(65-55-25-8-12-29-59(55)67-60-30-13-9-26-56(60)65)39-53(50)63(48-24-16-22-41-19-6-7-23-47(41)48)49-35-33-46(40-54(49)64)66-57-27-10-14-31-61(57)68-62-32-15-11-28-58(62)66/h1-40H
• InChIKey: NZFJWUHJTGLMOY-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The IUPAC name of 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (CID 59220509) is 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.

What is the SMILES notation for 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The canonical SMILES for 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is c1ccc(-c2cc3ccccc3cc2-c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1.

What is the InChIKey of 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The InChIKey is NZFJWUHJTGLMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-17-42(18-3-1)51-37-43-20-4-5-21-44(43)38-52(51)64-50-36-34-45(65-55-25-8-12-29-59(55)67-60-30-13-9-26-56(60)65)39-53(50)63(48-24-16-22-41-19-6-7-23-47(41)48)49-35-33-46(40-54(49)64)66-57-27-10-14-31-61(57)68-62-32-15-11-28-58(62)66/h1-40H.

What are the key properties of 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine has a molecular weight of 869.04 g/mol, XLogP of 18.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 59220509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).