9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine

C61H48N2Si — CID 168725930

About 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine

9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine (PubChem CID 168725930) has the molecular formula C61H48N2Si and a molecular weight of 837.16 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
• PubChem CID: 168725930
• Molecular Formula: C61H48N2Si
• Molecular Weight: 837.16 g/mol
• Exact Mass: 836.36
• IUPAC Name: 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3)ccc21
• InChI: InChI=1S/C61H48N2Si/c1-61(2)58-38-18-17-37-56(58)57-44-50(40-41-59(57)61)62(46-24-7-3-8-25-46)48-28-20-34-53(42-48)64(51-30-11-5-12-31-51,52-32-13-6-14-33-52)54-35-21-29-49(43-54)63(47-26-9-4-10-27-47)60-39-19-23-45-22-15-16-36-55(45)60/h3-44H,1-2H3
• InChIKey: KISMWWWVIFIOEK-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.16
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine (CID 168725930) is 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(N(c5ccccc5)c5cccc6ccccc56)c4)c3)ccc21.

What is the InChIKey of 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?

The InChIKey is KISMWWWVIFIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2Si/c1-61(2)58-38-18-17-37-56(58)57-44-50(40-41-59(57)61)62(46-24-7-3-8-25-46)48-28-20-34-53(42-48)64(51-30-11-5-12-31-51,52-32-13-6-14-33-52)54-35-21-29-49(43-54)63(47-26-9-4-10-27-47)60-39-19-23-45-22-15-16-36-55(45)60/h3-44H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?

9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine has a molecular weight of 837.16 g/mol, XLogP of 13.46, 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-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine is sourced from PubChem (CID 168725930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).