9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen

C33H34BNO2 — CID 144896856

About 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen

9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen (PubChem CID 144896856) has the molecular formula C33H34BNO2 and a molecular weight of 487.45 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen
• PubChem CID: 144896856
• Molecular Formula: C33H34BNO2
• Molecular Weight: 487.45 g/mol
• Exact Mass: 487.27
• IUPAC Name: 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen
• SMILES: CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(B5OC(C)(C)C(C)(C)O5)cc43)ccc21.[H][H]
• InChI: InChI=1S/C33H32BNO2.H2/c1-31(2)27-13-9-7-11-23(27)26-20-22(16-18-28(26)31)35-29-14-10-8-12-24(29)25-17-15-21(19-30(25)35)34-36-32(3,4)33(5,6)37-34;/h7-20H,1-6H3;1H
• InChIKey: CBHHZWAFYQACLS-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.45
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen?

The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen (CID 144896856) is 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen.

What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen?

The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(B5OC(C)(C)C(C)(C)O5)cc43)ccc21.[H][H].

What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen?

The InChIKey is CBHHZWAFYQACLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32BNO2.H2/c1-31(2)27-13-9-7-11-23(27)26-20-22(16-18-28(26)31)35-29-14-10-8-12-24(29)25-17-15-21(19-30(25)35)34-36-32(3,4)33(5,6)37-34;/h7-20H,1-6H3;1H.

What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen?

9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen has a molecular weight of 487.45 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen is sourced from PubChem (CID 144896856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).