2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C26H26BNO2 — CID 90078597

IUPAC2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILESCC1(C)OB(c2cccc3c(-c4ccccc4)c(-c4ccccc4)[nH]c23)OC1(C)C
InChIInChI=1S/C26H26BNO2/c1-25(2)26(3,4)30-27(29-25)21-17-11-16-20-22(18-12-7-5-8-13-18)23(28-24(20)21)19-14-9-6-10-15-19/h5-17,28H,1-4H3
InChIKeyUBGCHNBPUMJSMR-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.80
Rot. Bonds3

About 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 90078597) has the molecular formula C26H26BNO2 and a molecular weight of 395.31 g/mol. Its IUPAC name is 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

Compound Name2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
PubChem CID90078597
Molecular FormulaC26H26BNO2
Molecular Weight395.31 g/mol
Exact Mass395.21
IUPAC Name2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILESCC1(C)OB(c2cccc3c(-c4ccccc4)c(-c4ccccc4)[nH]c23)OC1(C)C
InChIInChI=1S/C26H26BNO2/c1-25(2)26(3,4)30-27(29-25)21-17-11-16-20-22(18-12-7-5-8-13-18)23(28-24(20)21)19-14-9-6-10-15-19/h5-17,28H,1-4H3
InChIKeyUBGCHNBPUMJSMR-UHFFFAOYSA-N
XLogP5.80
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-triphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,1-a]isoquinoline
CID 167328750
10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole
CID 168744662
4,4,5,5-tetramethyl-2-[12-phenyl-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-1,3,2-dioxaborolane
CID 149018702
2-dibenzotellurophen-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156681714
4,4,5,5-tetramethyl-2-[5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,2-dioxaborolane
CID 59523750
2-(1,2-diphenylbenzo[e][1]benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176753870
2,4-diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140
4,4,5,5-tetramethyl-2-phenanthren-4-yl-1,3,2-dioxaborolane
CID 133058867
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
1,2,3-triphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 150282563
methyl 4-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-2-carboxylate
CID 75486824

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The IUPAC name of 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 90078597) is 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.
What is the SMILES notation for 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The canonical SMILES for 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is CC1(C)OB(c2cccc3c(-c4ccccc4)c(-c4ccccc4)[nH]c23)OC1(C)C.
What is the InChIKey of 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The InChIKey is UBGCHNBPUMJSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BNO2/c1-25(2)26(3,4)30-27(29-25)21-17-11-16-20-22(18-12-7-5-8-13-18)23(28-24(20)21)19-14-9-6-10-15-19/h5-17,28H,1-4H3.
What are the key properties of 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 395.31 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 90078597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).