5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine

C49H44N2Si — CID 168810343

About 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine

5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine (PubChem CID 168810343) has the molecular formula C49H44N2Si and a molecular weight of 688.99 g/mol. Its IUPAC name is 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine.

Molecular Properties

• Compound Name: 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
• PubChem CID: 168810343
• Molecular Formula: C49H44N2Si
• Molecular Weight: 688.99 g/mol
• Exact Mass: 688.33
• IUPAC Name: 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
• SMILES: C[Si]1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCC4)cc3)cccc21
• InChI: InChI=1S/C49H44N2Si/c1-52(2)46-25-13-12-23-44(46)48-45(24-16-26-47(48)52)51(41-21-10-5-11-22-41)43-33-29-38(30-34-43)49(35-14-15-36-49)37-27-31-42(32-28-37)50(39-17-6-3-7-18-39)40-19-8-4-9-20-40/h3-13,16-34H,14-15,35-36H2,1-2H3
• InChIKey: DEXGFROZLPOPBC-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.99
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine?

The IUPAC name of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine (CID 168810343) is 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine.

What is the SMILES notation for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine?

The canonical SMILES for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine is C[Si]1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccccc6)cc5)CCCC4)cc3)cccc21.

What is the InChIKey of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine?

The InChIKey is DEXGFROZLPOPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2Si/c1-52(2)46-25-13-12-23-44(46)48-45(24-16-26-47(48)52)51(41-21-10-5-11-22-41)43-33-29-38(30-34-43)49(35-14-15-36-49)37-27-31-42(32-28-37)50(39-17-6-3-7-18-39)40-19-8-4-9-20-40/h3-13,16-34H,14-15,35-36H2,1-2H3.

What are the key properties of 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine?

5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine has a molecular weight of 688.99 g/mol, XLogP of 12.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine is sourced from PubChem (CID 168810343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).