N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine

C46H39NSi2 — CID 162504641

About N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine

N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine (PubChem CID 162504641) has the molecular formula C46H39NSi2 and a molecular weight of 662.00 g/mol. Its IUPAC name is N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

• Compound Name: N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine
• PubChem CID: 162504641
• Molecular Formula: C46H39NSi2
• Molecular Weight: 662.00 g/mol
• Exact Mass: 661.26
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine
• SMILES: C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3[Si](C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C46H39NSi2/c1-48(2)44-30-34(32-16-7-5-8-17-32)26-28-38(44)39-29-27-35(31-45(39)48)47(41-23-13-11-20-36(41)33-18-9-6-10-19-33)42-24-15-22-40-37-21-12-14-25-43(37)49(3,4)46(40)42/h5-31H,1-4H3
• InChIKey: ZHHGVBINNIVKHD-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.00
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine (CID 162504641) is N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine.

What is the SMILES notation for N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The canonical SMILES for N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3[Si](C)(C)c3ccccc3-4)cc21.

What is the InChIKey of N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine?

The InChIKey is ZHHGVBINNIVKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NSi2/c1-48(2)44-30-34(32-16-7-5-8-17-32)26-28-38(44)39-29-27-35(31-45(39)48)47(41-23-13-11-20-36(41)33-18-9-6-10-19-33)42-24-15-22-40-37-21-12-14-25-43(37)49(3,4)46(40)42/h5-31H,1-4H3.

What are the key properties of N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine?

N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine has a molecular weight of 662.00 g/mol, XLogP of 10.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5,5-dimethyl-7-phenyl-N-(2-phenylphenyl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 162504641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).