(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene

C26H34N2Si — CID 134901450

About (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene

(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene (PubChem CID 134901450) has the molecular formula C26H34N2Si and a molecular weight of 402.66 g/mol. Its IUPAC name is (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene.

Molecular Properties

• Compound Name: (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
• PubChem CID: 134901450
• Molecular Formula: C26H34N2Si
• Molecular Weight: 402.66 g/mol
• Exact Mass: 402.25
• IUPAC Name: (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
• SMILES: CC(C)(C)N1C=CN(C(C)(C)C)[Si]12[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1
• InChI: InChI=1S/C26H34N2Si/c1-25(2,3)27-19-20-28(26(4,5)6)29(27)23(21-13-9-7-10-14-21)17-18-24(29)22-15-11-8-12-16-22/h7-20,23-24H,1-6H3/t23-,24+
• InChIKey: MZCKXRMIASSVDU-PSWAGMNNSA-N
• XLogP: 6.33
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.66
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?

The IUPAC name of (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene (CID 134901450) is (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene.

What is the SMILES notation for (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?

The canonical SMILES for (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene is CC(C)(C)N1C=CN(C(C)(C)C)[Si]12[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1.

What is the InChIKey of (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?

The InChIKey is MZCKXRMIASSVDU-PSWAGMNNSA-N. The full InChI is InChI=1S/C26H34N2Si/c1-25(2,3)27-19-20-28(26(4,5)6)29(27)23(21-13-9-7-10-14-21)17-18-24(29)22-15-11-8-12-16-22/h7-20,23-24H,1-6H3/t23-,24+.

What are the key properties of (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene?

(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene has a molecular weight of 402.66 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene is sourced from PubChem (CID 134901450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).