9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

C61H48N2O — CID 89074909

About 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine

9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (PubChem CID 89074909) has the molecular formula C61H48N2O and a molecular weight of 825.07 g/mol. Its IUPAC name is 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• PubChem CID: 89074909
• Molecular Formula: C61H48N2O
• Molecular Weight: 825.07 g/mol
• Exact Mass: 824.38
• IUPAC Name: 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C61H48N2O/c1-3-61(4-2)53-41-44(35-39-51(53)52-40-38-49(42-54(52)61)62(47-21-10-6-11-22-47)48-23-12-7-13-24-48)32-31-43-33-36-46(37-34-43)60-50(45-19-8-5-9-20-45)25-18-28-57(60)63-55-26-14-16-29-58(55)64-59-30-17-15-27-56(59)63/h5-42H,3-4H2,1-2H3/b32-31+
• InChIKey: TXUGNZQWYMZJGH-QNEJGDQOSA-N
• XLogP: 17.32
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.07
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The IUPAC name of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine (CID 89074909) is 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4N4c5ccccc5Oc5ccccc54)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

The InChIKey is TXUGNZQWYMZJGH-QNEJGDQOSA-N. The full InChI is InChI=1S/C61H48N2O/c1-3-61(4-2)53-41-44(35-39-51(53)52-40-38-49(42-54(52)61)62(47-21-10-6-11-22-47)48-23-12-7-13-24-48)32-31-43-33-36-46(37-34-43)60-50(45-19-8-5-9-20-45)25-18-28-57(60)63-55-26-14-16-29-58(55)64-59-30-17-15-27-56(59)63/h5-42H,3-4H2,1-2H3/b32-31+.

What are the key properties of 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine?

9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine has a molecular weight of 825.07 g/mol, XLogP of 17.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).