trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane

C34H45BN2O4Si — CID 164881202

About trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 164881202) has the molecular formula C34H45BN2O4Si and a molecular weight of 584.64 g/mol. Its IUPAC name is trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 164881202
• Molecular Formula: C34H45BN2O4Si
• Molecular Weight: 584.64 g/mol
• Exact Mass: 584.32
• IUPAC Name: trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CC(C)c1ccccc1-c1cc2c(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cn(COCC[Si](C)(C)C)c2cn1
• InChI: InChI=1S/C34H45BN2O4Si/c1-24(2)27-12-10-11-13-28(27)30-20-29-31(21-36-30)37(23-38-18-19-42(7,8)9)22-32(29)39-26-16-14-25(15-17-26)35-40-33(3,4)34(5,6)41-35/h10-17,20-22,24H,18-19,23H2,1-9H3
• InChIKey: UQPPDOLOJXQRDH-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 54.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.64
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane (CID 164881202) is trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane is CC(C)c1ccccc1-c1cc2c(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cn(COCC[Si](C)(C)C)c2cn1.

What is the InChIKey of trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is UQPPDOLOJXQRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45BN2O4Si/c1-24(2)27-12-10-11-13-28(27)30-20-29-31(21-36-30)37(23-38-18-19-42(7,8)9)22-32(29)39-26-16-14-25(15-17-26)35-40-33(3,4)34(5,6)41-35/h10-17,20-22,24H,18-19,23H2,1-9H3.

What are the key properties of trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 584.64 g/mol, XLogP of 8.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[5-(2-propan-2-ylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 164881202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).