(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid

C24H20BNO2 — CID 170986585

IUPAC(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid
SMILESOB(O)C1(n2c3ccccc3c3ccccc32)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C24H20BNO2/c27-25(28)24(16-8-11-19(17-24)18-9-2-1-3-10-18)26-22-14-6-4-12-20(22)21-13-5-7-15-23(21)26/h1-16,27-28H,17H2
InChIKeyYCWUGDVPFJFCDA-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.55
Rot. Bonds3

About (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid

(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid (PubChem CID 170986585) has the molecular formula C24H20BNO2 and a molecular weight of 365.24 g/mol. Its IUPAC name is (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid.

Molecular Properties

Compound Name(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid
PubChem CID170986585
Molecular FormulaC24H20BNO2
Molecular Weight365.24 g/mol
Exact Mass365.16
IUPAC Name(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid
SMILESOB(O)C1(n2c3ccccc3c3ccccc32)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C24H20BNO2/c27-25(28)24(16-8-11-19(17-24)18-9-2-1-3-10-18)26-22-14-6-4-12-20(22)21-13-5-7-15-23(21)26/h1-16,27-28H,17H2
InChIKeyYCWUGDVPFJFCDA-UHFFFAOYSA-N
XLogP4.55
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.55
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

1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde
CID 130276656
1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 174545418
9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
CID 174544647
1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
CID 172714149
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
tert-butyl N-(1-formyl-5-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 175485910
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
CID 153115110
9-(1-carbazol-9-yl-3-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 118526940
5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
CID 175079715
azulene;boric acid
CID 175218967
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342

Frequently Asked Questions

What is the IUPAC name of (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid?
The IUPAC name of (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid (CID 170986585) is (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid.
What is the SMILES notation for (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid?
The canonical SMILES for (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid is OB(O)C1(n2c3ccccc3c3ccccc32)C=CC=C(c2ccccc2)C1.
What is the InChIKey of (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid?
The InChIKey is YCWUGDVPFJFCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BNO2/c27-25(28)24(16-8-11-19(17-24)18-9-2-1-3-10-18)26-22-14-6-4-12-20(22)21-13-5-7-15-23(21)26/h1-16,27-28H,17H2.
What are the key properties of (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid?
(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid has a molecular weight of 365.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid is sourced from PubChem (CID 170986585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).