2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C26H25BO2 — CID 141396536

IUPAC2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CC3=c4cc5c(cc4C=C3C2)=c2ccccc2=C5)OC1(C)C
InChIInChI=1S/C26H25BO2/c1-25(2)26(3,4)29-27(28-25)20-9-10-22-17(13-20)12-19-15-23-18(14-24(19)22)11-16-7-5-6-8-21(16)23/h5-12,14-15,20H,13H2,1-4H3
InChIKeyNNCXZYRBIZDLEI-UHFFFAOYSA-N
MW380.30 g/mol
LogP4.09
Rot. Bonds1

About 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 141396536) has the molecular formula C26H25BO2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID141396536
Molecular FormulaC26H25BO2
Molecular Weight380.30 g/mol
Exact Mass380.19
IUPAC Name2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CC3=c4cc5c(cc4C=C3C2)=c2ccccc2=C5)OC1(C)C
InChIInChI=1S/C26H25BO2/c1-25(2)26(3,4)29-27(28-25)20-9-10-22-17(13-20)12-19-15-23-18(14-24(19)22)11-16-7-5-6-8-21(16)23/h5-12,14-15,20H,13H2,1-4H3
InChIKeyNNCXZYRBIZDLEI-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 54.09
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-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58987251
6-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine
CID 123570440
4,4,5,5-tetramethyl-2-(2-phenyl-3H-inden-5-yl)-1,3,2-dioxaborolane
CID 159929264
4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
CID 57446162
2-(2,3-dihydro-1H-inden-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122382852
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine
CID 141444392
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90890590
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene
CID 157033634
2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzonitrile
CID 168861804
4,4,5,5-tetramethyl-2-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]-1,3,2-dioxaborolane
CID 166442850
3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8λ6-thiabicyclo[3.2.1]oct-2-ene 8,8-dioxide
CID 171971398
2-(3,4-dihydro-1H-isochromen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174051385

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 141396536) is 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2C=CC3=c4cc5c(cc4C=C3C2)=c2ccccc2=C5)OC1(C)C.
What is the InChIKey of 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NNCXZYRBIZDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BO2/c1-25(2)26(3,4)29-27(28-25)20-9-10-22-17(13-20)12-19-15-23-18(14-24(19)22)11-16-7-5-6-8-21(16)23/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 380.30 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroindeno[1,2-b]fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 141396536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).