triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane

C42H38BNO2Si — CID 165169101

About triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane

triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane (PubChem CID 165169101) has the molecular formula C42H38BNO2Si and a molecular weight of 627.67 g/mol. Its IUPAC name is triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane
• PubChem CID: 165169101
• Molecular Formula: C42H38BNO2Si
• Molecular Weight: 627.67 g/mol
• Exact Mass: 627.28
• IUPAC Name: triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane
• SMILES: CC1(C)OB(c2cccc(-n3c4ccccc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)c2)OC1(C)C
• InChI: InChI=1S/C42H38BNO2Si/c1-41(2)42(3,4)46-43(45-41)31-17-16-18-32(29-31)44-39-26-15-14-25-37(39)38-30-36(27-28-40(38)44)47(33-19-8-5-9-20-33,34-21-10-6-11-22-34)35-23-12-7-13-24-35/h5-30H,1-4H3
• InChIKey: JCUYQOYZOXOQCK-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.67
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane?

The IUPAC name of triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane (CID 165169101) is triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane.

What is the SMILES notation for triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane?

The canonical SMILES for triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane is CC1(C)OB(c2cccc(-n3c4ccccc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)c2)OC1(C)C.

What is the InChIKey of triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane?

The InChIKey is JCUYQOYZOXOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38BNO2Si/c1-41(2)42(3,4)46-43(45-41)31-17-16-18-32(29-31)44-39-26-15-14-25-37(39)38-30-36(27-28-40(38)44)47(33-19-8-5-9-20-33,34-21-10-6-11-22-34)35-23-12-7-13-24-35/h5-30H,1-4H3.

What are the key properties of triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane?

triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane has a molecular weight of 627.67 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane is sourced from PubChem (CID 165169101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).