[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid

C28H26BNO2 — CID 141471421

IUPAC[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid
SMILESCC(C)(C)c1ccc2c(c1)c1cc(B(O)O)ccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H26BNO2/c1-28(2,3)21-12-14-26-24(17-21)25-18-22(29(31)32)13-15-27(25)30(26)23-11-7-10-20(16-23)19-8-5-4-6-9-19/h4-18,31-32H,1-3H3
InChIKeyOLOXEAFVBXPRPJ-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.43
Rot. Bonds3

About [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid

[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid (PubChem CID 141471421) has the molecular formula C28H26BNO2 and a molecular weight of 419.33 g/mol. Its IUPAC name is [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid.

Molecular Properties

Compound Name[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid
PubChem CID141471421
Molecular FormulaC28H26BNO2
Molecular Weight419.33 g/mol
Exact Mass419.21
IUPAC Name[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid
SMILESCC(C)(C)c1ccc2c(c1)c1cc(B(O)O)ccc1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H26BNO2/c1-28(2,3)21-12-14-26-24(17-21)25-18-22(29(31)32)13-15-27(25)30(26)23-11-7-10-20(16-23)19-8-5-4-6-9-19/h4-18,31-32H,1-3H3
InChIKeyOLOXEAFVBXPRPJ-UHFFFAOYSA-N
XLogP5.43
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[9-(3-phenylphenyl)carbazol-2-yl]boronic acid
CID 135743560
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 158767431
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(1,1,1-trideuterio-2-methylpropan-2-yl)carbazole
CID 88594409
9-(2-bromophenyl)-3-carbazol-9-ylcarbazole;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]boronic acid
CID 163736247
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-tert-butyl-6-deuterio-9-[3-[3-(3,6-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 59399854
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid?
The IUPAC name of [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid (CID 141471421) is [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid.
What is the SMILES notation for [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid?
The canonical SMILES for [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid is CC(C)(C)c1ccc2c(c1)c1cc(B(O)O)ccc1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid?
The InChIKey is OLOXEAFVBXPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BNO2/c1-28(2,3)21-12-14-26-24(17-21)25-18-22(29(31)32)13-15-27(25)30(26)23-11-7-10-20(16-23)19-8-5-4-6-9-19/h4-18,31-32H,1-3H3.
What are the key properties of [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid?
[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid has a molecular weight of 419.33 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid is sourced from PubChem (CID 141471421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).