triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane

C30H31BGeO2 — CID 169031106

About triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane

triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane (PubChem CID 169031106) has the molecular formula C30H31BGeO2 and a molecular weight of 507.00 g/mol. Its IUPAC name is triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane.

Molecular Properties

• Compound Name: triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane
• PubChem CID: 169031106
• Molecular Formula: C30H31BGeO2
• Molecular Weight: 507.00 g/mol
• Exact Mass: 508.16
• IUPAC Name: triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane
• SMILES: CC1(C)OB(c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)OC1(C)C
• InChI: InChI=1S/C30H31BGeO2/c1-29(2)30(3,4)34-31(33-29)24-20-22-28(23-21-24)32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-23H,1-4H3
• InChIKey: HIBSZWQNTDRWBC-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.00
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane?

The IUPAC name of triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane (CID 169031106) is triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane.

What is the SMILES notation for triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane?

The canonical SMILES for triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane is CC1(C)OB(c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)OC1(C)C.

What is the InChIKey of triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane?

The InChIKey is HIBSZWQNTDRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31BGeO2/c1-29(2)30(3,4)34-31(33-29)24-20-22-28(23-21-24)32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-23H,1-4H3.

What are the key properties of triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane?

triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane has a molecular weight of 507.00 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane is sourced from PubChem (CID 169031106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).