9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine

C53H54N2Si2 — CID 58444636

About 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine (PubChem CID 58444636) has the molecular formula C53H54N2Si2 and a molecular weight of 775.20 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 58444636
• Molecular Formula: C53H54N2Si2
• Molecular Weight: 775.20 g/mol
• Exact Mass: 774.38
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc21
• InChI: InChI=1S/C53H54N2Si2/c1-53(2)51-37-40(20-19-39-21-24-43(25-22-39)54(41-15-11-9-12-16-41)44-26-31-47(32-27-44)56(3,4)5)23-35-49(51)50-36-30-46(38-52(50)53)55(42-17-13-10-14-18-42)45-28-33-48(34-29-45)57(6,7)8/h9-38H,1-8H3/b20-19+
• InChIKey: AKFYQDYVHYWMCH-FMQUCBEESA-N
• XLogP: 14.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.20
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine (CID 58444636) is 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine?

The InChIKey is AKFYQDYVHYWMCH-FMQUCBEESA-N. The full InChI is InChI=1S/C53H54N2Si2/c1-53(2)51-37-40(20-19-39-21-24-43(25-22-39)54(41-15-11-9-12-16-41)44-26-31-47(32-27-44)56(3,4)5)23-35-49(51)50-36-30-46(38-52(50)53)55(42-17-13-10-14-18-42)45-28-33-48(34-29-45)57(6,7)8/h9-38H,1-8H3/b20-19+.

What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 775.20 g/mol, XLogP of 14.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 58444636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).