1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine

C33H45N3Si — CID 139166876

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine

1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine (PubChem CID 139166876) has the molecular formula C33H45N3Si and a molecular weight of 511.83 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine.

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine
• PubChem CID: 139166876
• Molecular Formula: C33H45N3Si
• Molecular Weight: 511.83 g/mol
• Exact Mass: 511.34
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)[n+](-c2c(C(C)C)cccc2C(C)C)[si-]1N(C)C
• InChI: InChI=1S/C33H45N3Si/c1-22(2)27-18-14-19-28(23(3)4)31(27)35-33(26-16-12-11-13-17-26)36(37(35)34(9)10)32-29(24(5)6)20-15-21-30(32)25(7)8/h11-25H,1-10H3
• InChIKey: CCVRIQBPOSMSFS-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 12.05 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.83
LogP ≤ 5	7.86
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 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine (CID 139166876) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine.

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)[n+](-c2c(C(C)C)cccc2C(C)C)[si-]1N(C)C.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine?

The InChIKey is CCVRIQBPOSMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3Si/c1-22(2)27-18-14-19-28(23(3)4)31(27)35-33(26-16-12-11-13-17-26)36(37(35)34(9)10)32-29(24(5)6)20-15-21-30(32)25(7)8/h11-25H,1-10H3.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine?

1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine has a molecular weight of 511.83 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-4-phenyl-3-aza-1-azonia-2-silanidacyclobut-4-en-2-amine is sourced from PubChem (CID 139166876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).