10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C61H44N2O2 — CID 59220091

About 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59220091) has the molecular formula C61H44N2O2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• PubChem CID: 59220091
• Molecular Formula: C61H44N2O2
• Molecular Weight: 837.04 g/mol
• Exact Mass: 836.34
• IUPAC Name: 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• SMILES: Cc1cc(C)cc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c1
• InChI: InChI=1S/C61H44N2O2/c1-37-31-38(2)33-40(32-37)60-46-30-27-41(62-51-17-7-11-21-55(51)64-56-22-12-8-18-52(56)62)35-47(46)59(39-25-28-44-43-15-5-6-16-49(43)61(3,4)50(44)34-39)45-29-26-42(36-48(45)60)63-53-19-9-13-23-57(53)65-58-24-14-10-20-54(58)63/h5-36H,1-4H3
• InChIKey: VGULBHHKBVRNHH-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.04
LogP ≤ 5	17.40
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-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The IUPAC name of 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59220091) is 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

What is the SMILES notation for 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The canonical SMILES for 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is Cc1cc(C)cc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c1.

What is the InChIKey of 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The InChIKey is VGULBHHKBVRNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2O2/c1-37-31-38(2)33-40(32-37)60-46-30-27-41(62-51-17-7-11-21-55(51)64-56-22-12-8-18-52(56)62)35-47(46)59(39-25-28-44-43-15-5-6-16-49(43)61(3,4)50(44)34-39)45-29-26-42(36-48(45)60)63-53-19-9-13-23-57(53)65-58-24-14-10-20-54(58)63/h5-36H,1-4H3.

What are the key properties of 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 837.04 g/mol, XLogP of 17.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59220091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).