10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine

C69H48N2O2 — CID 89111126

About 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine

10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine (PubChem CID 89111126) has the molecular formula C69H48N2O2 and a molecular weight of 937.16 g/mol. Its IUPAC name is 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
• PubChem CID: 89111126
• Molecular Formula: C69H48N2O2
• Molecular Weight: 937.16 g/mol
• Exact Mass: 936.37
• IUPAC Name: 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N5C6=C(C=CCC6)Oc6ccccc65)cc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccc(N5c6ccccc6Oc6ccccc65)cc34)cc21
• InChI: InChI=1S/C69H48N2O2/c1-69(2)57-24-6-5-22-51(57)52-36-33-46(40-58(52)69)68-54-38-35-47(70-59-25-7-11-29-63(59)72-64-30-12-8-26-60(64)70)41-55(54)67(45-20-15-19-44(39-45)50-23-16-18-43-17-3-4-21-49(43)50)53-37-34-48(42-56(53)68)71-61-27-9-13-31-65(61)73-66-32-14-10-28-62(66)71/h3-7,9-25,27-42H,8,26H2,1-2H3
• InChIKey: JCXJLNMWOZBYSY-UHFFFAOYSA-N
• XLogP: 19.12
• 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	937.16
LogP ≤ 5	19.12
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-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine?

The IUPAC name of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine (CID 89111126) is 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine.

What is the SMILES notation for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine?

The canonical SMILES for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N5C6=C(C=CCC6)Oc6ccccc65)cc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccc(N5c6ccccc6Oc6ccccc65)cc34)cc21.

What is the InChIKey of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine?

The InChIKey is JCXJLNMWOZBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N2O2/c1-69(2)57-24-6-5-22-51(57)52-36-33-46(40-58(52)69)68-54-38-35-47(70-59-25-7-11-29-63(59)72-64-30-12-8-26-60(64)70)41-55(54)67(45-20-15-19-44(39-45)50-23-16-18-43-17-3-4-21-49(43)50)53-37-34-48(42-56(53)68)71-61-27-9-13-31-65(61)73-66-32-14-10-28-62(66)71/h3-7,9-25,27-42H,8,26H2,1-2H3.

What are the key properties of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine?

10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine has a molecular weight of 937.16 g/mol, XLogP of 19.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 89111126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).