[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid

C18H16BNO2 — CID 154692123

IUPAC[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1
InChIInChI=1S/C18H16BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-3,5-7,9-12,21-22H,4,8H2
InChIKeyUGVIQQCSKOJQLV-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.27
Rot. Bonds2

About [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid

[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid (PubChem CID 154692123) has the molecular formula C18H16BNO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
PubChem CID154692123
Molecular FormulaC18H16BNO2
Molecular Weight289.14 g/mol
Exact Mass289.13
IUPAC Name[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1
InChIInChI=1S/C18H16BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-3,5-7,9-12,21-22H,4,8H2
InChIKeyUGVIQQCSKOJQLV-UHFFFAOYSA-N
XLogP2.27
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.27
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-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-[4-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]phenyl]-1,2-dihydrocarbazole
CID 144976701
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid?
The IUPAC name of [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid (CID 154692123) is [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid?
The canonical SMILES for [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid is OB(O)c1ccc(-n2c3c(c4ccccc42)C=CCC3)cc1.
What is the InChIKey of [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid?
The InChIKey is UGVIQQCSKOJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-3,5-7,9-12,21-22H,4,8H2.
What are the key properties of [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid?
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid has a molecular weight of 289.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid is sourced from PubChem (CID 154692123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).