(5-cyano-9-phenylcarbazol-3-yl)boronic acid

C19H13BN2O2 — CID 178064371

IUPAC(5-cyano-9-phenylcarbazol-3-yl)boronic acid
SMILESN#Cc1cccc2c1c1cc(B(O)O)ccc1n2-c1ccccc1
InChIInChI=1S/C19H13BN2O2/c21-12-13-5-4-8-18-19(13)16-11-14(20(23)24)9-10-17(16)22(18)15-6-2-1-3-7-15/h1-11,23-24H
InChIKeyLYVCEOZEMJPBQG-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.34
Rot. Bonds2

About (5-cyano-9-phenylcarbazol-3-yl)boronic acid

(5-cyano-9-phenylcarbazol-3-yl)boronic acid (PubChem CID 178064371) has the molecular formula C19H13BN2O2 and a molecular weight of 312.14 g/mol. Its IUPAC name is (5-cyano-9-phenylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound Name(5-cyano-9-phenylcarbazol-3-yl)boronic acid
PubChem CID178064371
Molecular FormulaC19H13BN2O2
Molecular Weight312.14 g/mol
Exact Mass312.11
IUPAC Name(5-cyano-9-phenylcarbazol-3-yl)boronic acid
SMILESN#Cc1cccc2c1c1cc(B(O)O)ccc1n2-c1ccccc1
InChIInChI=1S/C19H13BN2O2/c21-12-13-5-4-8-18-19(13)16-11-14(20(23)24)9-10-17(16)22(18)15-6-2-1-3-7-15/h1-11,23-24H
InChIKeyLYVCEOZEMJPBQG-UHFFFAOYSA-N
XLogP2.34
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.34
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

6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
CID 166588251
4-bromobenzonitrile;4-(9-phenylcarbazol-3-yl)benzonitrile;(9-phenylcarbazol-3-yl)boronic acid
CID 157177412
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
6-(2-cyanophenyl)-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180219
9-(4-isocyanophenyl)carbazole-4-carbonitrile
CID 164818731
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2-[5-(2,6-dicyanocyclohexa-1,5-dien-1-yl)-9-phenylcarbazol-3-yl]benzene-1,3-dicarbonitrile
CID 163683784

Frequently Asked Questions

What is the IUPAC name of (5-cyano-9-phenylcarbazol-3-yl)boronic acid?
The IUPAC name of (5-cyano-9-phenylcarbazol-3-yl)boronic acid (CID 178064371) is (5-cyano-9-phenylcarbazol-3-yl)boronic acid.
What is the SMILES notation for (5-cyano-9-phenylcarbazol-3-yl)boronic acid?
The canonical SMILES for (5-cyano-9-phenylcarbazol-3-yl)boronic acid is N#Cc1cccc2c1c1cc(B(O)O)ccc1n2-c1ccccc1.
What is the InChIKey of (5-cyano-9-phenylcarbazol-3-yl)boronic acid?
The InChIKey is LYVCEOZEMJPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BN2O2/c21-12-13-5-4-8-18-19(13)16-11-14(20(23)24)9-10-17(16)22(18)15-6-2-1-3-7-15/h1-11,23-24H.
What are the key properties of (5-cyano-9-phenylcarbazol-3-yl)boronic acid?
(5-cyano-9-phenylcarbazol-3-yl)boronic acid has a molecular weight of 312.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-9-phenylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 178064371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).