10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C56H38N2O2 — CID 59220321

About 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59220321) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• PubChem CID: 59220321
• Molecular Formula: C56H38N2O2
• Molecular Weight: 770.93 g/mol
• Exact Mass: 770.29
• IUPAC Name: 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• SMILES: Cc1ccc(-c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1C
• InChI: InChI=1S/C56H38N2O2/c1-35-26-27-38(32-36(35)2)55-43-30-28-40(58-49-20-7-11-24-53(49)60-54-25-12-8-21-50(54)58)34-46(43)56(42-17-13-15-37-14-3-4-16-41(37)42)44-31-29-39(33-45(44)55)57-47-18-5-9-22-51(47)59-52-23-10-6-19-48(52)57/h3-34H,1-2H3
• InChIKey: LVJYABWZKJZXLC-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.93
LogP ≤ 5	16.25
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-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The IUPAC name of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59220321) is 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

What is the SMILES notation for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The canonical SMILES for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is Cc1ccc(-c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1C.

What is the InChIKey of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The InChIKey is LVJYABWZKJZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2/c1-35-26-27-38(32-36(35)2)55-43-30-28-40(58-49-20-7-11-24-53(49)60-54-25-12-8-21-50(54)58)34-46(43)56(42-17-13-15-37-14-3-4-16-41(37)42)44-31-29-39(33-45(44)55)57-47-18-5-9-22-51(47)59-52-23-10-6-19-48(52)57/h3-34H,1-2H3.

What are the key properties of 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 770.93 g/mol, XLogP of 16.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).