(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid

C17H13BN2O2 — CID 146014442

IUPAC(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid
SMILESOB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2n1
InChIInChI=1S/C17H13BN2O2/c21-18(22)16-11-10-14-13-8-4-5-9-15(13)20(17(14)19-16)12-6-2-1-3-7-12/h1-11,21-22H
InChIKeyKKFSDFPVGQQYKO-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.86
Rot. Bonds2

About (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid

(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid (PubChem CID 146014442) has the molecular formula C17H13BN2O2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid.

Molecular Properties

Compound Name(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid
PubChem CID146014442
Molecular FormulaC17H13BN2O2
Molecular Weight288.12 g/mol
Exact Mass288.11
IUPAC Name(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid
SMILESOB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2n1
InChIInChI=1S/C17H13BN2O2/c21-18(22)16-11-10-14-13-8-4-5-9-15(13)20(17(14)19-16)12-6-2-1-3-7-12/h1-11,21-22H
InChIKeyKKFSDFPVGQQYKO-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane
CID 164714397
9-phenylpyrido[2,3-b]indole
CID 15939260
(5-phenylpyrimido[5,4-b]indol-2-yl)boronic acid
CID 164839371
9-phenylcarbazole;pyridine
CID 158880805
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
CID 15939264
2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole
CID 129221438
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
(9-phenylcarbazol-4-yl)boronic acid
CID 90057429
2-(3-methylphenyl)-9-(9-phenylpyrido[2,3-b]indol-2-yl)pyrido[2,3-b]indole
CID 140775651
2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole
CID 118232303

Frequently Asked Questions

What is the IUPAC name of (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid?
The IUPAC name of (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid (CID 146014442) is (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid.
What is the SMILES notation for (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid?
The canonical SMILES for (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid is OB(O)c1ccc2c3ccccc3n(-c3ccccc3)c2n1.
What is the InChIKey of (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid?
The InChIKey is KKFSDFPVGQQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BN2O2/c21-18(22)16-11-10-14-13-8-4-5-9-15(13)20(17(14)19-16)12-6-2-1-3-7-12/h1-11,21-22H.
What are the key properties of (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid?
(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid has a molecular weight of 288.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-phenylpyrido[2,3-b]indol-2-yl)boronic acid is sourced from PubChem (CID 146014442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).