(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene

C36H44Cl6N4Si2 — CID 139184374

About (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene

(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene (PubChem CID 139184374) has the molecular formula C36H44Cl6N4Si2 and a molecular weight of 801.67 g/mol. Its IUPAC name is (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene.

Molecular Properties

• Compound Name: (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene
• PubChem CID: 139184374
• Molecular Formula: C36H44Cl6N4Si2
• Molecular Weight: 801.67 g/mol
• Exact Mass: 798.12
• IUPAC Name: (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene
• SMILES: CC(C)c1cccc(C(C)C)c1N1[C@H]([C@@H]2c3cccc[n+]3[Si-](Cl)(Cl)(Cl)N2c2c(C(C)C)cccc2C(C)C)c2cccc[n+]2[Si-]1(Cl)(Cl)Cl
• InChI: InChI=1S/C36H44Cl6N4Si2/c1-23(2)27-15-13-16-28(24(3)4)33(27)45-35(31-19-9-11-21-43(31)47(45,37,38)39)36-32-20-10-12-22-44(32)48(40,41,42)46(36)34-29(25(5)6)17-14-18-30(34)26(7)8/h9-26,35-36H,1-8H3/t35-,36-/m0/s1
• InChIKey: KLCKTINOLWFQER-ZPGRZCPFSA-N
• XLogP: 11.48
• TPSA: 14.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.67
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene?

The IUPAC name of (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene (CID 139184374) is (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene.

What is the SMILES notation for (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene?

The canonical SMILES for (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene is CC(C)c1cccc(C(C)C)c1N1[C@H]([C@@H]2c3cccc[n+]3[Si-](Cl)(Cl)(Cl)N2c2c(C(C)C)cccc2C(C)C)c2cccc[n+]2[Si-]1(Cl)(Cl)Cl.

What is the InChIKey of (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene?

The InChIKey is KLCKTINOLWFQER-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H44Cl6N4Si2/c1-23(2)27-15-13-16-28(24(3)4)33(27)45-35(31-19-9-11-21-43(31)47(45,37,38)39)36-32-20-10-12-22-44(32)48(40,41,42)46(36)34-29(25(5)6)17-14-18-30(34)26(7)8/h9-26,35-36H,1-8H3/t35-,36-/m0/s1.

What are the key properties of (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene?

(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene has a molecular weight of 801.67 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-7-[(7R)-9,9,9-trichloro-8-[2,6-di(propan-2-yl)phenyl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-trien-7-yl]-8-aza-1-azonia-9-silanuidabicyclo[4.3.0]nona-1,3,5-triene is sourced from PubChem (CID 139184374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).