N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine

C44H37NSi2 — CID 162504511

About N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine

N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine (PubChem CID 162504511) has the molecular formula C44H37NSi2 and a molecular weight of 635.96 g/mol. Its IUPAC name is N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

• Compound Name: N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
• PubChem CID: 162504511
• Molecular Formula: C44H37NSi2
• Molecular Weight: 635.96 g/mol
• Exact Mass: 635.25
• IUPAC Name: N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine
• SMILES: C[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)c3ccc4cc(-c5ccccc5)ccc4c3)cc21
• InChI: InChI=1S/C44H37NSi2/c1-46(2)41-16-10-8-14-37(41)39-24-22-35(28-43(39)46)45(36-23-25-40-38-15-9-11-17-42(38)47(3,4)44(40)29-36)34-21-20-32-26-31(18-19-33(32)27-34)30-12-6-5-7-13-30/h5-29H,1-4H3
• InChIKey: CRDDNRBQZYNTNA-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.96
LogP ≤ 5	9.58
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-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine?

The IUPAC name of N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine (CID 162504511) is N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine.

What is the SMILES notation for N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine?

The canonical SMILES for N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)c3ccc4cc(-c5ccccc5)ccc4c3)cc21.

What is the InChIKey of N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine?

The InChIKey is CRDDNRBQZYNTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37NSi2/c1-46(2)41-16-10-8-14-37(41)39-24-22-35(28-43(39)46)45(36-23-25-40-38-15-9-11-17-42(38)47(3,4)44(40)29-36)34-21-20-32-26-31(18-19-33(32)27-34)30-12-6-5-7-13-30/h5-29H,1-4H3.

What are the key properties of N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine?

N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine has a molecular weight of 635.96 g/mol, XLogP of 9.58, 4 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-3-yl)-5,5-dimethyl-N-(6-phenylnaphthalen-2-yl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 162504511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).