10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

C64H44N2O2 — CID 173476848

About 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine

10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (PubChem CID 173476848) has the molecular formula C64H44N2O2 and a molecular weight of 873.07 g/mol. Its IUPAC name is 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
• PubChem CID: 173476848
• Molecular Formula: C64H44N2O2
• Molecular Weight: 873.07 g/mol
• Exact Mass: 872.34
• IUPAC Name: 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
• SMILES: C1=CC/C=C\C=C(\c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cc4ccccc4cc3-c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)CC=C1
• InChI: InChI=1S/C64H44N2O2/c1-2-4-7-23-44(24-8-5-3-1)63-49-37-35-48(66-57-29-15-19-33-61(57)68-62-34-20-16-30-58(62)66)42-54(49)64(52-40-46-26-12-11-25-45(46)39-51(52)43-21-9-6-10-22-43)50-38-36-47(41-53(50)63)65-55-27-13-17-31-59(55)67-60-32-18-14-28-56(60)65/h1-2,4-22,24-42H,3,23H2/b2-1?,7-4?,8-5-,44-24+
• InChIKey: RTAGZIJPMOMYOM-NHKSQVRVSA-N
• XLogP: 18.48
• 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	873.07
LogP ≤ 5	18.48
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-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The IUPAC name of 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine (CID 173476848) is 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine.

What is the SMILES notation for 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The canonical SMILES for 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is C1=CC/C=C\C=C(\c2c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3cc4ccccc4cc3-c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)CC=C1.

What is the InChIKey of 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

The InChIKey is RTAGZIJPMOMYOM-NHKSQVRVSA-N. The full InChI is InChI=1S/C64H44N2O2/c1-2-4-7-23-44(24-8-5-3-1)63-49-37-35-48(66-57-29-15-19-33-61(57)68-62-34-20-16-30-58(62)66)42-54(49)64(52-40-46-26-12-11-25-45(46)39-51(52)43-21-9-6-10-22-43)50-38-36-47(41-53(50)63)65-55-27-13-17-31-59(55)67-60-32-18-14-28-56(60)65/h1-2,4-22,24-42H,3,23H2/b2-1?,7-4?,8-5-,44-24+.

What are the key properties of 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine?

10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine has a molecular weight of 873.07 g/mol, XLogP of 18.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[(1E,3Z)-cyclodeca-1,3,6,8-tetraen-1-yl]-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 173476848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).