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

C69H46N2O2 — CID 59220074

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

10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59220074) has the molecular formula C69H46N2O2 and a molecular weight of 935.14 g/mol. Its IUPAC name is 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• PubChem CID: 59220074
• Molecular Formula: C69H46N2O2
• Molecular Weight: 935.14 g/mol
• Exact Mass: 934.36
• IUPAC Name: 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5cc(N6c7ccccc7Oc7ccccc76)ccc5c(-c5cccc6ccccc56)c5cc(N6c7ccccc7Oc7ccccc76)ccc45)c3)cc21
• InChI: InChI=1S/C69H46N2O2/c1-69(2)57-24-6-5-22-50(57)51-36-33-45(40-58(51)69)44-19-15-20-46(39-44)67-53-37-34-48(71-61-27-9-13-31-65(61)73-66-32-14-10-28-62(66)71)42-56(53)68(52-23-16-18-43-17-3-4-21-49(43)52)54-38-35-47(41-55(54)67)70-59-25-7-11-29-63(59)72-64-30-12-8-26-60(64)70/h3-42H,1-2H3
• InChIKey: XDFFLTKZQJBXSR-UHFFFAOYSA-N
• XLogP: 19.60
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.14
LogP ≤ 5	19.60
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-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?

The IUPAC name of 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59220074) is 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

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

The canonical SMILES for 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5cc(N6c7ccccc7Oc7ccccc76)ccc5c(-c5cccc6ccccc56)c5cc(N6c7ccccc7Oc7ccccc76)ccc45)c3)cc21.

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

The InChIKey is XDFFLTKZQJBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2O2/c1-69(2)57-24-6-5-22-50(57)51-36-33-45(40-58(51)69)44-19-15-20-46(39-44)67-53-37-34-48(71-61-27-9-13-31-65(61)73-66-32-14-10-28-62(66)71)42-56(53)68(52-23-16-18-43-17-3-4-21-49(43)52)54-38-35-47(41-55(54)67)70-59-25-7-11-29-63(59)72-64-30-12-8-26-60(64)70/h3-42H,1-2H3.

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

10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 935.14 g/mol, XLogP of 19.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59220074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).