1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole

C24H24BNO2 — CID 146776858

IUPAC1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole
SMILESCC1(C)OB(c2cccc(-n3ccc4cc5ccccc5cc43)c2)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)20-10-7-11-21(16-20)26-13-12-19-14-17-8-5-6-9-18(17)15-22(19)26/h5-16H,1-4H3
InChIKeyRSWVOPKRQCJUAB-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.08
Rot. Bonds2

About 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole (PubChem CID 146776858) has the molecular formula C24H24BNO2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole.

Molecular Properties

Compound Name1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole
PubChem CID146776858
Molecular FormulaC24H24BNO2
Molecular Weight369.27 g/mol
Exact Mass369.19
IUPAC Name1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole
SMILESCC1(C)OB(c2cccc(-n3ccc4cc5ccccc5cc43)c2)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)20-10-7-11-21(16-20)26-13-12-19-14-17-8-5-6-9-18(17)15-22(19)26/h5-16H,1-4H3
InChIKeyRSWVOPKRQCJUAB-UHFFFAOYSA-N
XLogP5.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole?
The IUPAC name of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole (CID 146776858) is 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole.
What is the SMILES notation for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole?
The canonical SMILES for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole is CC1(C)OB(c2cccc(-n3ccc4cc5ccccc5cc43)c2)OC1(C)C.
What is the InChIKey of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole?
The InChIKey is RSWVOPKRQCJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)20-10-7-11-21(16-20)26-13-12-19-14-17-8-5-6-9-18(17)15-22(19)26/h5-16H,1-4H3.
What are the key properties of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole?
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole has a molecular weight of 369.27 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole is sourced from PubChem (CID 146776858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).