(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid

C26H18BNO2 — CID 174312456

IUPAC(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1cc2ccccc2cc1-n1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C26H18BNO2/c29-27(30)23-14-18-8-2-4-10-20(18)16-26(23)28-24-12-6-5-11-21(24)22-13-17-7-1-3-9-19(17)15-25(22)28/h1-16,29-30H
InChIKeyXWTSOUARNAIJPF-UHFFFAOYSA-N
MW387.25 g/mol
LogP4.77
Rot. Bonds2

About (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid

(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid (PubChem CID 174312456) has the molecular formula C26H18BNO2 and a molecular weight of 387.25 g/mol. Its IUPAC name is (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid
PubChem CID174312456
Molecular FormulaC26H18BNO2
Molecular Weight387.25 g/mol
Exact Mass387.14
IUPAC Name(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid
SMILESOB(O)c1cc2ccccc2cc1-n1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C26H18BNO2/c29-27(30)23-14-18-8-2-4-10-20(18)16-26(23)28-24-12-6-5-11-21(24)22-13-17-7-1-3-9-19(17)15-25(22)28/h1-16,29-30H
InChIKeyXWTSOUARNAIJPF-UHFFFAOYSA-N
XLogP4.77
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 54.77
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-bromonaphthalen-2-yl)carbazole
CID 166009716
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
9-(9-carbazol-9-ylpyren-4-yl)carbazole
CID 174313049
5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
CID 164534086
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
(2,5-ditert-butyl-4-carbazol-9-ylphenyl)boronic acid
CID 167442176
phenanthren-9-ylboronic acid
CID 158011086
(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid
CID 164707731
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603571
5-(8-phenylquinoxalin-5-yl)benzo[b]carbazole
CID 139361603
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121329133

Frequently Asked Questions

What is the IUPAC name of (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid?
The IUPAC name of (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid (CID 174312456) is (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid.
What is the SMILES notation for (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid?
The canonical SMILES for (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid is OB(O)c1cc2ccccc2cc1-n1c2ccccc2c2cc3ccccc3cc21.
What is the InChIKey of (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid?
The InChIKey is XWTSOUARNAIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BNO2/c29-27(30)23-14-18-8-2-4-10-20(18)16-26(23)28-24-12-6-5-11-21(24)22-13-17-7-1-3-9-19(17)15-25(22)28/h1-16,29-30H.
What are the key properties of (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid?
(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid has a molecular weight of 387.25 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid is sourced from PubChem (CID 174312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).