(8-carbazol-9-yldibenzofuran-2-yl)boronic acid

C24H16BNO3 — CID 89433899

IUPAC(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H16BNO3/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H
InChIKeyIBKVOYNORCUOIX-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.36
Rot. Bonds2

About (8-carbazol-9-yldibenzofuran-2-yl)boronic acid

(8-carbazol-9-yldibenzofuran-2-yl)boronic acid (PubChem CID 89433899) has the molecular formula C24H16BNO3 and a molecular weight of 377.21 g/mol. Its IUPAC name is (8-carbazol-9-yldibenzofuran-2-yl)boronic acid.

Molecular Properties

Compound Name(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
PubChem CID89433899
Molecular FormulaC24H16BNO3
Molecular Weight377.21 g/mol
Exact Mass377.12
IUPAC Name(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C24H16BNO3/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H
InChIKeyIBKVOYNORCUOIX-UHFFFAOYSA-N
XLogP4.36
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.36
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

(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
[8-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)dibenzofuran-2-yl]boronic acid
CID 172624909
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
CID 70661114
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
CID 86730009
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138
CID 90167817
CID 90167817
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003

Frequently Asked Questions

What is the IUPAC name of (8-carbazol-9-yldibenzofuran-2-yl)boronic acid?
The IUPAC name of (8-carbazol-9-yldibenzofuran-2-yl)boronic acid (CID 89433899) is (8-carbazol-9-yldibenzofuran-2-yl)boronic acid.
What is the SMILES notation for (8-carbazol-9-yldibenzofuran-2-yl)boronic acid?
The canonical SMILES for (8-carbazol-9-yldibenzofuran-2-yl)boronic acid is OB(O)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of (8-carbazol-9-yldibenzofuran-2-yl)boronic acid?
The InChIKey is IBKVOYNORCUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO3/c27-25(28)15-9-11-23-19(13-15)20-14-16(10-12-24(20)29-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26/h1-14,27-28H.
What are the key properties of (8-carbazol-9-yldibenzofuran-2-yl)boronic acid?
(8-carbazol-9-yldibenzofuran-2-yl)boronic acid has a molecular weight of 377.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-carbazol-9-yldibenzofuran-2-yl)boronic acid is sourced from PubChem (CID 89433899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).