1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane

C29H33B — CID 142567911

IUPAC1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(B4CC(C)(C)C(C)(C)C4)c3)ccc21
InChIInChI=1S/C29H33B/c1-27(2)18-30(19-28(27,3)4)22-11-9-10-20(16-22)21-14-15-26-24(17-21)23-12-7-8-13-25(23)29(26,5)6/h7-17H,18-19H2,1-6H3
InChIKeyDDAFXHBAFXTTSD-UHFFFAOYSA-N
MW392.40 g/mol
LogP7.43
Rot. Bonds2

About 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane

1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane (PubChem CID 142567911) has the molecular formula C29H33B and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane.

Molecular Properties

Compound Name1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane
PubChem CID142567911
Molecular FormulaC29H33B
Molecular Weight392.40 g/mol
Exact Mass392.27
IUPAC Name1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(B4CC(C)(C)C(C)(C)C4)c3)ccc21
InChIInChI=1S/C29H33B/c1-27(2)18-30(19-28(27,3)4)22-11-9-10-20(16-22)21-14-15-26-24(17-21)23-12-7-8-13-25(23)29(26,5)6/h7-17H,18-19H2,1-6H3
InChIKeyDDAFXHBAFXTTSD-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.40
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129
2-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145436463
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane?
The IUPAC name of 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane (CID 142567911) is 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane.
What is the SMILES notation for 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane?
The canonical SMILES for 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane is CC1(C)c2ccccc2-c2cc(-c3cccc(B4CC(C)(C)C(C)(C)C4)c3)ccc21.
What is the InChIKey of 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane?
The InChIKey is DDAFXHBAFXTTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33B/c1-27(2)18-30(19-28(27,3)4)22-11-9-10-20(16-22)21-14-15-26-24(17-21)23-12-7-8-13-25(23)29(26,5)6/h7-17H,18-19H2,1-6H3.
What are the key properties of 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane?
1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane has a molecular weight of 392.40 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,3,4,4-tetramethylborolane is sourced from PubChem (CID 142567911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).