4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane

C25H25BO2 — CID 176734595

IUPAC4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(c3ccccc3)c3ccccc3-c3ccccc32)OC1(C)C
InChIInChI=1S/C25H25BO2/c1-23(2)24(3,4)28-26(27-23)25(18-12-6-5-7-13-18)21-16-10-8-14-19(21)20-15-9-11-17-22(20)25/h5-17H,1-4H3
InChIKeyFUTUWBLPXYHZKF-UHFFFAOYSA-N
MW368.29 g/mol
LogP5.63
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane (PubChem CID 176734595) has the molecular formula C25H25BO2 and a molecular weight of 368.29 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane
PubChem CID176734595
Molecular FormulaC25H25BO2
Molecular Weight368.29 g/mol
Exact Mass368.19
IUPAC Name4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(c3ccccc3)c3ccccc3-c3ccccc32)OC1(C)C
InChIInChI=1S/C25H25BO2/c1-23(2)24(3,4)28-26(27-23)25(18-12-6-5-7-13-18)21-16-10-8-14-19(21)20-15-9-11-17-22(20)25/h5-17H,1-4H3
InChIKeyFUTUWBLPXYHZKF-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.29
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6,6-diphenylbenzo[c]chromen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168802834
2-[2-(9,9-diphenylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140769877
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164817103
4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
CID 57446162
ethane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;bis(spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158278910
4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine
CID 142384799
4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-3-yl]-1,3,2-dioxaborolane
CID 153294242
4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
CID 164510813
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4,4,5,5-tetramethyl-2-spiro[cyclobutane-1,9'-fluorene]-4'-yl-1,3,2-dioxaborolane
CID 162519788
4-ethenyl-1,6-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 57292416

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane (CID 176734595) is 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane is CC1(C)OB(C2(c3ccccc3)c3ccccc3-c3ccccc32)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane?
The InChIKey is FUTUWBLPXYHZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BO2/c1-23(2)24(3,4)28-26(27-23)25(18-12-6-5-7-13-18)21-16-10-8-14-19(21)20-15-9-11-17-22(20)25/h5-17H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane has a molecular weight of 368.29 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 176734595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).