bis(9,9-diethylfluoren-2-yl)borinic acid

C34H35BO — CID 140671655

IUPACbis(9,9-diethylfluoren-2-yl)borinic acid
SMILESCCC1(CC)c2ccccc2-c2ccc(B(O)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21
InChIInChI=1S/C34H35BO/c1-5-33(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)33)35(36)24-18-20-28-26-14-10-12-16-30(26)34(7-3,8-4)32(28)22-24/h9-22,36H,5-8H2,1-4H3
InChIKeyRJXLNDVDUQSZIS-UHFFFAOYSA-N
MW470.47 g/mol
LogP6.96
Rot. Bonds6

About bis(9,9-diethylfluoren-2-yl)borinic acid

bis(9,9-diethylfluoren-2-yl)borinic acid (PubChem CID 140671655) has the molecular formula C34H35BO and a molecular weight of 470.47 g/mol. Its IUPAC name is bis(9,9-diethylfluoren-2-yl)borinic acid.

Molecular Properties

Compound Namebis(9,9-diethylfluoren-2-yl)borinic acid
PubChem CID140671655
Molecular FormulaC34H35BO
Molecular Weight470.47 g/mol
Exact Mass470.28
IUPAC Namebis(9,9-diethylfluoren-2-yl)borinic acid
SMILESCCC1(CC)c2ccccc2-c2ccc(B(O)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21
InChIInChI=1S/C34H35BO/c1-5-33(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)33)35(36)24-18-20-28-26-14-10-12-16-30(26)34(7-3,8-4)32(28)22-24/h9-22,36H,5-8H2,1-4H3
InChIKeyRJXLNDVDUQSZIS-UHFFFAOYSA-N
XLogP6.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
9,9-diethylfluoren-2-ol
CID 163996675
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
CID 173482166
CID 173482166
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2-(diiodomethyl)-9,9-diethylfluorene
CID 142719764
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204

Frequently Asked Questions

What is the IUPAC name of bis(9,9-diethylfluoren-2-yl)borinic acid?
The IUPAC name of bis(9,9-diethylfluoren-2-yl)borinic acid (CID 140671655) is bis(9,9-diethylfluoren-2-yl)borinic acid.
What is the SMILES notation for bis(9,9-diethylfluoren-2-yl)borinic acid?
The canonical SMILES for bis(9,9-diethylfluoren-2-yl)borinic acid is CCC1(CC)c2ccccc2-c2ccc(B(O)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21.
What is the InChIKey of bis(9,9-diethylfluoren-2-yl)borinic acid?
The InChIKey is RJXLNDVDUQSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BO/c1-5-33(6-2)29-15-11-9-13-25(29)27-19-17-23(21-31(27)33)35(36)24-18-20-28-26-14-10-12-16-30(26)34(7-3,8-4)32(28)22-24/h9-22,36H,5-8H2,1-4H3.
What are the key properties of bis(9,9-diethylfluoren-2-yl)borinic acid?
bis(9,9-diethylfluoren-2-yl)borinic acid has a molecular weight of 470.47 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9-diethylfluoren-2-yl)borinic acid is sourced from PubChem (CID 140671655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).