4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane

C24H23BO3 — CID 156631285

IUPAC4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3oc4ccc(-c5ccccc5)cc4c23)OC1(C)C
InChIInChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)19-11-8-12-21-22(19)18-15-17(13-14-20(18)26-21)16-9-6-5-7-10-16/h5-15H,1-4H3
InChIKeyBSEDWDYUEXQIFD-UHFFFAOYSA-N
MW370.26 g/mol
LogP5.55
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane (PubChem CID 156631285) has the molecular formula C24H23BO3 and a molecular weight of 370.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
PubChem CID156631285
Molecular FormulaC24H23BO3
Molecular Weight370.26 g/mol
Exact Mass370.17
IUPAC Name4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc3oc4ccc(-c5ccccc5)cc4c23)OC1(C)C
InChIInChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)19-11-8-12-21-22(19)18-15-17(13-14-20(18)26-21)16-9-6-5-7-10-16/h5-15H,1-4H3
InChIKeyBSEDWDYUEXQIFD-UHFFFAOYSA-N
XLogP5.55
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.26
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(8-phenanthren-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 140946516
4,4,5,5-tetramethyl-2-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 153437831
3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]dibenzothiophene 5,5-dioxide
CID 169131800
4,4,5,5-tetramethyl-2-[8-(5-methylidenedibenzothiophen-3-yl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 169131617
2-(3,5-diphenyl-1-benzofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177094722
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
2-(3-chloro-7-phenyldibenzofuran-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174098358
4,4,5,5-tetramethyl-2-[4-(8-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,2-dioxaborolane
CID 163974886
2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]xanthen-9-one
CID 176758625

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane (CID 156631285) is 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3oc4ccc(-c5ccccc5)cc4c23)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The InChIKey is BSEDWDYUEXQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BO3/c1-23(2)24(3,4)28-25(27-23)19-11-8-12-21-22(19)18-15-17(13-14-20(18)26-21)16-9-6-5-7-10-16/h5-15H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane has a molecular weight of 370.26 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(8-phenyldibenzofuran-1-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 156631285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).