N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

C65H57NSi — CID 168738719

About N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (PubChem CID 168738719) has the molecular formula C65H57NSi and a molecular weight of 880.26 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
• PubChem CID: 168738719
• Molecular Formula: C65H57NSi
• Molecular Weight: 880.26 g/mol
• Exact Mass: 879.43
• IUPAC Name: N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C65H57NSi/c1-64(2)62-36-25-49(59-24-14-16-48-15-12-13-23-58(48)59)40-61(62)60-35-32-53(41-63(60)64)66(51-28-26-50(27-29-51)65-42-45-37-46(43-65)39-47(38-45)44-65)52-30-33-57(34-31-52)67(54-17-6-3-7-18-54,55-19-8-4-9-20-55)56-21-10-5-11-22-56/h3-36,40-41,45-47H,37-39,42-44H2,1-2H3
• InChIKey: KQJKMPJCBVWNJN-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.26
LogP ≤ 5	14.13
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 N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (CID 168738719) is N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The InChIKey is KQJKMPJCBVWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57NSi/c1-64(2)62-36-25-49(59-24-14-16-48-15-12-13-23-58(48)59)40-61(62)60-35-32-53(41-63(60)64)66(51-28-26-50(27-29-51)65-42-45-37-46(43-65)39-47(38-45)44-65)52-30-33-57(34-31-52)67(54-17-6-3-7-18-54,55-19-8-4-9-20-55)56-21-10-5-11-22-56/h3-36,40-41,45-47H,37-39,42-44H2,1-2H3.

What are the key properties of N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine has a molecular weight of 880.26 g/mol, XLogP of 14.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).