9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C25H26BNO2 — CID 147176198

IUPAC9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(B4OC(C)(C)C(C)(C)O4)c3)ccc21
InChIInChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5/h6-16H,1-5H3
InChIKeyBYROJFNCHMSEPB-UHFFFAOYSA-N
MW383.30 g/mol
LogP5.30
Rot. Bonds2

About 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 147176198) has the molecular formula C25H26BNO2 and a molecular weight of 383.30 g/mol. Its IUPAC name is 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID147176198
Molecular FormulaC25H26BNO2
Molecular Weight383.30 g/mol
Exact Mass383.21
IUPAC Name9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(B4OC(C)(C)C(C)(C)O4)c3)ccc21
InChIInChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5/h6-16H,1-5H3
InChIKeyBYROJFNCHMSEPB-UHFFFAOYSA-N
XLogP5.30
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.30
LogP ≤ 55.30
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

3-[9-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)phenyl]phenyl]carbazol-3-yl]-9-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 174028754
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
1-[3-(3-bromophenyl)carbazol-9-yl]ethanone;1,3-dibromobenzene;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]ethanone
CID 161325621
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
1,5-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole
CID 154596663
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 123608284

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 147176198) is 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is Cn1c2ccccc2c2cc(-c3cccc(B4OC(C)(C)C(C)(C)O4)c3)ccc21.
What is the InChIKey of 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is BYROJFNCHMSEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-10-8-9-17(15-19)18-13-14-23-21(16-18)20-11-6-7-12-22(20)27(23)5/h6-16H,1-5H3.
What are the key properties of 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 383.30 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 147176198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).