[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane

C35H38N2OSSi — CID 158602266

About [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane

[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane (PubChem CID 158602266) has the molecular formula C35H38N2OSSi and a molecular weight of 562.86 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane
• PubChem CID: 158602266
• Molecular Formula: C35H38N2OSSi
• Molecular Weight: 562.86 g/mol
• Exact Mass: 562.25
• IUPAC Name: [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane
• SMILES: COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1
• InChI: InChI=1S/C35H38N2OSSi/c1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32/h8-24H,1-7H3
• InChIKey: LWBSVMWPAWVZFK-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 27.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.86
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane?

The IUPAC name of [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane (CID 158602266) is [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane?

The canonical SMILES for [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane is COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1.

What is the InChIKey of [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane?

The InChIKey is LWBSVMWPAWVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2OSSi/c1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32/h8-24H,1-7H3.

What are the key properties of [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane?

[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane has a molecular weight of 562.86 g/mol, XLogP of 10.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 158602266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).