[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid

C20H18BNO2 — CID 153327063

IUPAC[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid
SMILESCc1ccc2[nH]c3c(-c4ccc(B(O)O)cc4)cc(C)cc3c2c1
InChIInChI=1S/C20H18BNO2/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(7-5-14)21(23)24/h3-11,22-24H,1-2H3
InChIKeyMCVRTNGCOQJIGH-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.28
Rot. Bonds2

About [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid

[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid (PubChem CID 153327063) has the molecular formula C20H18BNO2 and a molecular weight of 315.18 g/mol. Its IUPAC name is [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid
PubChem CID153327063
Molecular FormulaC20H18BNO2
Molecular Weight315.18 g/mol
Exact Mass315.14
IUPAC Name[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid
SMILESCc1ccc2[nH]c3c(-c4ccc(B(O)O)cc4)cc(C)cc3c2c1
InChIInChI=1S/C20H18BNO2/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(7-5-14)21(23)24/h3-11,22-24H,1-2H3
InChIKeyMCVRTNGCOQJIGH-UHFFFAOYSA-N
XLogP3.28
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
CID 174882577
1,3,6-trimethyl-9H-carbazole
CID 139213984
1-[4-[6-(4-bromophenyl)sulfonylpyridazin-3-yl]sulfonylphenyl]-3,6-dimethyl-9H-carbazole
CID 155147307
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
3,6-dimethyl-9H-carbazole
CID 144942624
3,6-dimethyl-1,8-diphenyl-9H-carbazole
CID 71440735
ethane;(4-methylphenyl)boronic acid;1,4-xylene
CID 160827114
4-(2,5-dimethylphenyl)benzaldehyde;(4-formylphenyl)boronic acid;1,2,4-trimethylbenzene
CID 159864555
1,3,6-triphenyl-9H-carbazole
CID 118052457
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
(4-methylphenyl)boronic acid;sulfur monoxide
CID 177162052

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid?
The IUPAC name of [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid (CID 153327063) is [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid?
The canonical SMILES for [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid is Cc1ccc2[nH]c3c(-c4ccc(B(O)O)cc4)cc(C)cc3c2c1.
What is the InChIKey of [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid?
The InChIKey is MCVRTNGCOQJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BNO2/c1-12-3-8-19-17(9-12)18-11-13(2)10-16(20(18)22-19)14-4-6-15(7-5-14)21(23)24/h3-11,22-24H,1-2H3.
What are the key properties of [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid?
[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid has a molecular weight of 315.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]boronic acid is sourced from PubChem (CID 153327063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).