trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane

C31H28N2Si+2 — CID 140710790

About trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane

trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane (PubChem CID 140710790) has the molecular formula C31H28N2Si+2 and a molecular weight of 456.67 g/mol. Its IUPAC name is trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
• PubChem CID: 140710790
• Molecular Formula: C31H28N2Si+2
• Molecular Weight: 456.67 g/mol
• Exact Mass: 456.20
• IUPAC Name: trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
• SMILES: Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2c3ccccc3cc[n+]21
• InChI: InChI=1S/C31H28N2Si/c1-21-19-28-24-13-7-9-15-26(24)31(33(28)20-29(21)34(2,3)4)27-16-10-8-14-25(27)30-23-12-6-5-11-22(23)17-18-32(30)31/h5-20H,1-4H3/q+2
• InChIKey: JAXZCHDTEWCSSB-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 7.76 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.67
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?

The IUPAC name of trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane (CID 140710790) is trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane.

What is the SMILES notation for trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?

The canonical SMILES for trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane is Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2c3ccccc3cc[n+]21.

What is the InChIKey of trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?

The InChIKey is JAXZCHDTEWCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2Si/c1-21-19-28-24-13-7-9-15-26(24)31(33(28)20-29(21)34(2,3)4)27-16-10-8-14-25(27)30-23-12-6-5-11-22(23)17-18-32(30)31/h5-20H,1-4H3/q+2.

What are the key properties of trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?

trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane has a molecular weight of 456.67 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane is sourced from PubChem (CID 140710790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).