11H-benzo[a]carbazol-1-ylboronic acid

C16H12BNO2 — CID 176903535

IUPAC11H-benzo[a]carbazol-1-ylboronic acid
SMILESOB(O)c1cccc2ccc3c4ccccc4[nH]c3c12
InChIInChI=1S/C16H12BNO2/c19-17(20)13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,18-20H
InChIKeyGQQJFPVELFGFKC-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.15
Rot. Bonds1

About 11H-benzo[a]carbazol-1-ylboronic acid

11H-benzo[a]carbazol-1-ylboronic acid (PubChem CID 176903535) has the molecular formula C16H12BNO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 11H-benzo[a]carbazol-1-ylboronic acid.

Molecular Properties

Compound Name11H-benzo[a]carbazol-1-ylboronic acid
PubChem CID176903535
Molecular FormulaC16H12BNO2
Molecular Weight261.09 g/mol
Exact Mass261.10
IUPAC Name11H-benzo[a]carbazol-1-ylboronic acid
SMILESOB(O)c1cccc2ccc3c4ccccc4[nH]c3c12
InChIInChI=1S/C16H12BNO2/c19-17(20)13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,18-20H
InChIKeyGQQJFPVELFGFKC-UHFFFAOYSA-N
XLogP2.15
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-1-ylboronic acid
CID 53421584
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
1-butyl-11H-benzo[a]carbazole
CID 70621746
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
(1-ethyl-9H-carbazol-2-yl)boronic acid
CID 141303113
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
2-hydroxy-11H-benzo[a]carbazole-1-carboxamide
CID 66614517
3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
2-(11H-benzo[a]carbazol-1-yl)-1,3-benzoxazole
CID 141473006
bis(9H-carbazol-1-yloxy)borinic acid
CID 175014324

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[a]carbazol-1-ylboronic acid?
The IUPAC name of 11H-benzo[a]carbazol-1-ylboronic acid (CID 176903535) is 11H-benzo[a]carbazol-1-ylboronic acid.
What is the SMILES notation for 11H-benzo[a]carbazol-1-ylboronic acid?
The canonical SMILES for 11H-benzo[a]carbazol-1-ylboronic acid is OB(O)c1cccc2ccc3c4ccccc4[nH]c3c12.
What is the InChIKey of 11H-benzo[a]carbazol-1-ylboronic acid?
The InChIKey is GQQJFPVELFGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BNO2/c19-17(20)13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,18-20H.
What are the key properties of 11H-benzo[a]carbazol-1-ylboronic acid?
11H-benzo[a]carbazol-1-ylboronic acid has a molecular weight of 261.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[a]carbazol-1-ylboronic acid is sourced from PubChem (CID 176903535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).