9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine

C53H43N3 — CID 89066820

About 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine (PubChem CID 89066820) has the molecular formula C53H43N3 and a molecular weight of 721.95 g/mol. Its IUPAC name is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 89066820
• Molecular Formula: C53H43N3
• Molecular Weight: 721.95 g/mol
• Exact Mass: 721.35
• IUPAC Name: 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine
• SMILES: CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4-c4cnccn4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C53H43N3/c1-3-53(4-2)49-35-39(27-31-46(49)47-32-30-44(36-50(47)53)56(42-17-10-6-11-18-42)43-19-12-7-13-20-43)24-23-38-25-28-41(29-26-38)52-45(40-15-8-5-9-16-40)21-14-22-48(52)51-37-54-33-34-55-51/h5-37H,3-4H2,1-2H3/b24-23+
• InChIKey: FOJRMCDKKDKYHU-WCWDXBQESA-N
• XLogP: 14.20
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.95
LogP ≤ 5	14.20
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-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine (CID 89066820) is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine?

The canonical SMILES for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)cccc4-c4cnccn4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine?

The InChIKey is FOJRMCDKKDKYHU-WCWDXBQESA-N. The full InChI is InChI=1S/C53H43N3/c1-3-53(4-2)49-35-39(27-31-46(49)47-32-30-44(36-50(47)53)56(42-17-10-6-11-18-42)43-19-12-7-13-20-43)24-23-38-25-28-41(29-26-38)52-45(40-15-8-5-9-16-40)21-14-22-48(52)51-37-54-33-34-55-51/h5-37H,3-4H2,1-2H3/b24-23+.

What are the key properties of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine?

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 721.95 g/mol, XLogP of 14.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-pyrazin-2-ylphenyl)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89066820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).