9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine

C64H49NSi — CID 174022799

About 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine

9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 174022799) has the molecular formula C64H49NSi and a molecular weight of 860.19 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
• PubChem CID: 174022799
• Molecular Formula: C64H49NSi
• Molecular Weight: 860.19 g/mol
• Exact Mass: 859.36
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)cc32)c2ccccc21
• InChI: InChI=1S/C64H49NSi/c1-63(2)58-34-17-19-36-60(58)64(61-37-20-18-35-59(61)63)57-33-16-15-32-55(57)56-43-40-50(45-62(56)64)65(48-23-7-3-8-24-48)49-25-21-22-47(44-49)46-38-41-54(42-39-46)66(51-26-9-4-10-27-51,52-28-11-5-12-29-52)53-30-13-6-14-31-53/h3-45H,1-2H3
• InChIKey: IUIBKWKFIVYFHT-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.19
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine (CID 174022799) is 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)cc32)c2ccccc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?

The InChIKey is IUIBKWKFIVYFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NSi/c1-63(2)58-34-17-19-36-60(58)64(61-37-20-18-35-59(61)63)57-33-16-15-32-55(57)56-43-40-50(45-62(56)64)65(48-23-7-3-8-24-48)49-25-21-22-47(44-49)46-38-41-54(42-39-46)66(51-26-9-4-10-27-51,52-28-11-5-12-29-52)53-30-13-6-14-31-53/h3-45H,1-2H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine?

9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 860.19 g/mol, XLogP of 13.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 174022799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).