(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid

C28H18BNO3 — CID 164707731

IUPAC(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid
SMILESOB(O)c1cc2ccccc2c2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C28H18BNO3/c31-29(32)23-15-17-7-1-2-8-19(17)27-22-14-13-18(16-26(22)33-28(23)27)30-24-11-5-3-9-20(24)21-10-4-6-12-25(21)30/h1-16,31-32H
InChIKeyZXDZACHDZRUVPO-UHFFFAOYSA-N
MW427.27 g/mol
LogP5.52
Rot. Bonds2

About (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid

(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid (PubChem CID 164707731) has the molecular formula C28H18BNO3 and a molecular weight of 427.27 g/mol. Its IUPAC name is (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid.

Molecular Properties

Compound Name(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid
PubChem CID164707731
Molecular FormulaC28H18BNO3
Molecular Weight427.27 g/mol
Exact Mass427.14
IUPAC Name(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid
SMILESOB(O)c1cc2ccccc2c2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C28H18BNO3/c31-29(32)23-15-17-7-1-2-8-19(17)27-22-14-13-18(16-26(22)33-28(23)27)30-24-11-5-3-9-20(24)21-10-4-6-12-25(21)30/h1-16,31-32H
InChIKeyZXDZACHDZRUVPO-UHFFFAOYSA-N
XLogP5.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.27
LogP ≤ 55.52
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

12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-ylboronic acid
CID 153454258
9-(17-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-6-yl)carbazole
CID 59147574
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 154968541
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 154968542
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
CID 164707430
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
9-(17-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-7-yl)carbazole
CID 59147323
(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
CID 144782100
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091

Frequently Asked Questions

What is the IUPAC name of (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid?
The IUPAC name of (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid (CID 164707731) is (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid.
What is the SMILES notation for (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid?
The canonical SMILES for (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid is OB(O)c1cc2ccccc2c2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12.
What is the InChIKey of (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid?
The InChIKey is ZXDZACHDZRUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BNO3/c31-29(32)23-15-17-7-1-2-8-19(17)27-22-14-13-18(16-26(22)33-28(23)27)30-24-11-5-3-9-20(24)21-10-4-6-12-25(21)30/h1-16,31-32H.
What are the key properties of (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid?
(9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid has a molecular weight of 427.27 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-carbazol-9-ylnaphtho[2,1-b][1]benzofuran-6-yl)boronic acid is sourced from PubChem (CID 164707731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).