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

C35H38N2OSSi — CID 158243906

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

[11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane (PubChem CID 158243906) has the molecular formula C35H38N2OSSi and a molecular weight of 562.86 g/mol. Its IUPAC name is [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane
• PubChem CID: 158243906
• Molecular Formula: C35H38N2OSSi
• Molecular Weight: 562.86 g/mol
• Exact Mass: 562.25
• IUPAC Name: [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane
• SMILES: COc1ccc(-c2c3cnccc3c(-c3cccs3)c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c23)cc1
• InChI: InChI=1S/C35H38N2OSSi/c1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-34(32-9-8-20-39-32)27-16-18-36-21-30(27)33(35(28)29)25-10-12-26(38-7)13-11-25/h8-24H,1-7H3
• InChIKey: BRPTWEOZXXPEPJ-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 [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane?

The IUPAC name of [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane (CID 158243906) is [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane.

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

The canonical SMILES for [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane is COc1ccc(-c2c3cnccc3c(-c3cccs3)c3ccc4c(ccn4[Si](C(C)C)(C(C)C)C(C)C)c23)cc1.

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

The InChIKey is BRPTWEOZXXPEPJ-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)15-14-29-34(32-9-8-20-39-32)27-16-18-36-21-30(27)33(35(28)29)25-10-12-26(38-7)13-11-25/h8-24H,1-7H3.

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

[11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-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 [11-(4-methoxyphenyl)-6-thiophen-2-ylindolo[5,4-g]isoquinolin-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 158243906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).