[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid

C31H23BN2O3 — CID 140873138

IUPAC[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
SMILESCOc1ccc(-n2c3ccc(B(O)O)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C31H23BN2O3/c1-37-23-14-11-21(12-15-23)33-30-16-10-20(32(35)36)18-26(30)27-19-22(13-17-31(27)33)34-28-8-4-2-6-24(28)25-7-3-5-9-29(25)34/h2-19,35-36H,1H3
InChIKeyJADRDVWAWWWIFA-UHFFFAOYSA-N
MW482.35 g/mol
LogP5.57
Rot. Bonds4

About [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid

[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid (PubChem CID 140873138) has the molecular formula C31H23BN2O3 and a molecular weight of 482.35 g/mol. Its IUPAC name is [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid.

Molecular Properties

Compound Name[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
PubChem CID140873138
Molecular FormulaC31H23BN2O3
Molecular Weight482.35 g/mol
Exact Mass482.18
IUPAC Name[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
SMILESCOc1ccc(-n2c3ccc(B(O)O)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C31H23BN2O3/c1-37-23-14-11-21(12-15-23)33-30-16-10-20(32(35)36)18-26(30)27-19-22(13-17-31(27)33)34-28-8-4-2-6-24(28)25-7-3-5-9-29(25)34/h2-19,35-36H,1H3
InChIKeyJADRDVWAWWWIFA-UHFFFAOYSA-N
XLogP5.57
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
CID 86730009
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
buta-1,3-diene;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid
CID 145148607
(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
CID 59147189
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544

Frequently Asked Questions

What is the IUPAC name of [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid?
The IUPAC name of [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid (CID 140873138) is [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid.
What is the SMILES notation for [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid?
The canonical SMILES for [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid is COc1ccc(-n2c3ccc(B(O)O)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid?
The InChIKey is JADRDVWAWWWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23BN2O3/c1-37-23-14-11-21(12-15-23)33-30-16-10-20(32(35)36)18-26(30)27-19-22(13-17-31(27)33)34-28-8-4-2-6-24(28)25-7-3-5-9-29(25)34/h2-19,35-36H,1H3.
What are the key properties of [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid?
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid has a molecular weight of 482.35 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid is sourced from PubChem (CID 140873138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).