N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

C62H53NSi — CID 168738505

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (PubChem CID 168738505) has the molecular formula C62H53NSi and a molecular weight of 840.20 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
• PubChem CID: 168738505
• Molecular Formula: C62H53NSi
• Molecular Weight: 840.20 g/mol
• Exact Mass: 839.39
• IUPAC Name: N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C62H53NSi/c1-62(2)60-38-29-47(56-24-14-16-44-15-12-13-23-55(44)56)41-59(60)57-37-34-50(42-61(57)62)63(48-30-27-45(28-31-48)58-40-43-25-26-46(58)39-43)49-32-35-54(36-33-49)64(51-17-6-3-7-18-51,52-19-8-4-9-20-52)53-21-10-5-11-22-53/h3-24,27-38,41-43,46,58H,25-26,39-40H2,1-2H3
• InChIKey: YPMCNCVSEOBKCH-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.20
LogP ≤ 5	13.56
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-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine (CID 168738505) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is CC1(C)c2ccc(-c3cccc4ccccc34)cc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

The InChIKey is YPMCNCVSEOBKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53NSi/c1-62(2)60-38-29-47(56-24-14-16-44-15-12-13-23-55(44)56)41-59(60)57-37-34-50(42-61(57)62)63(48-30-27-45(28-31-48)58-40-43-25-26-46(58)39-43)49-32-35-54(36-33-49)64(51-17-6-3-7-18-51,52-19-8-4-9-20-52)53-21-10-5-11-22-53/h3-24,27-38,41-43,46,58H,25-26,39-40H2,1-2H3.

What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine?

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine has a molecular weight of 840.20 g/mol, XLogP of 13.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).