(9-phenylcarbazol-4-yl)boronic acid

C18H14BNO2 — CID 90057429

IUPAC(9-phenylcarbazol-4-yl)boronic acid
SMILESOB(O)c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14BNO2/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13/h1-12,21-22H
InChIKeyQIXPSFYLBFVSII-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.46
Rot. Bonds2

About (9-phenylcarbazol-4-yl)boronic acid

(9-phenylcarbazol-4-yl)boronic acid (PubChem CID 90057429) has the molecular formula C18H14BNO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is (9-phenylcarbazol-4-yl)boronic acid.

Molecular Properties

Compound Name(9-phenylcarbazol-4-yl)boronic acid
PubChem CID90057429
Molecular FormulaC18H14BNO2
Molecular Weight287.13 g/mol
Exact Mass287.11
IUPAC Name(9-phenylcarbazol-4-yl)boronic acid
SMILESOB(O)c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H14BNO2/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13/h1-12,21-22H
InChIKeyQIXPSFYLBFVSII-UHFFFAOYSA-N
XLogP2.46
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.46
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

ethane;(9-phenylcarbazol-4-yl)boronic acid
CID 178110282
[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid
CID 158701629
4-iodo-9-phenylcarbazole
CID 126592391
9-phenyl-4-pyrrol-1-ylcarbazole
CID 168863070
2-(9-phenylcarbazol-4-yl)acetic acid
CID 154200316
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142355826
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
(6-chloro-9-phenylcarbazol-1-yl)boronic acid
CID 166049001
9-phenylcarbazole-4-carboximidamide
CID 142504972
3-(3-bromo-5-chlorophenyl)-9-phenylcarbazole;3-[3-chloro-5-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;phenylboronic acid;(9-phenylcarbazol-4-yl)boronic acid;9-phenyl-3-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 161329286

Frequently Asked Questions

What is the IUPAC name of (9-phenylcarbazol-4-yl)boronic acid?
The IUPAC name of (9-phenylcarbazol-4-yl)boronic acid (CID 90057429) is (9-phenylcarbazol-4-yl)boronic acid.
What is the SMILES notation for (9-phenylcarbazol-4-yl)boronic acid?
The canonical SMILES for (9-phenylcarbazol-4-yl)boronic acid is OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of (9-phenylcarbazol-4-yl)boronic acid?
The InChIKey is QIXPSFYLBFVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BNO2/c21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13/h1-12,21-22H.
What are the key properties of (9-phenylcarbazol-4-yl)boronic acid?
(9-phenylcarbazol-4-yl)boronic acid has a molecular weight of 287.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-phenylcarbazol-4-yl)boronic acid is sourced from PubChem (CID 90057429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).