dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane

C31H26N6Si+2 — CID 170671441

About dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane

dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane (PubChem CID 170671441) has the molecular formula C31H26N6Si+2 and a molecular weight of 510.68 g/mol. Its IUPAC name is dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane.

Molecular Properties

• Compound Name: dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane
• PubChem CID: 170671441
• Molecular Formula: C31H26N6Si+2
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.20
• IUPAC Name: dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane
• SMILES: C[N+]1=C=[N+](c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2nccnc21
• InChI: InChI=1S/C31H26N6Si/c1-35-21-36(31-30(35)33-17-18-34-31)22-9-8-10-23(19-22)38(2,3)24-14-15-26-25-11-4-5-12-27(25)37(28(26)20-24)29-13-6-7-16-32-29/h4-20H,1-3H3/q+2
• InChIKey: WKMKQQCHPKKIMS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 49.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane?

The IUPAC name of dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane (CID 170671441) is dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane.

What is the SMILES notation for dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane?

The canonical SMILES for dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane is C[N+]1=C=[N+](c2cccc([Si](C)(C)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2nccnc21.

What is the InChIKey of dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane?

The InChIKey is WKMKQQCHPKKIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6Si/c1-35-21-36(31-30(35)33-17-18-34-31)22-9-8-10-23(19-22)38(2,3)24-14-15-26-25-11-4-5-12-27(25)37(28(26)20-24)29-13-6-7-16-32-29/h4-20H,1-3H3/q+2.

What are the key properties of dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane?

dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane has a molecular weight of 510.68 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)silane is sourced from PubChem (CID 170671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).