(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid

C26H17BO3 — CID 164799821

IUPAC(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1cccc2c(-c3ccc4oc5ccc6ccccc6c5c4c3)cccc12
InChIInChI=1S/C26H17BO3/c28-27(29)23-10-4-8-20-18(7-3-9-21(20)23)17-12-13-24-22(15-17)26-19-6-2-1-5-16(19)11-14-25(26)30-24/h1-15,28-29H
InChIKeyZDDQMQQWNCGRHL-UHFFFAOYSA-N
MW388.23 g/mol
LogP5.24
Rot. Bonds2

About (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid

(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid (PubChem CID 164799821) has the molecular formula C26H17BO3 and a molecular weight of 388.23 g/mol. Its IUPAC name is (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
PubChem CID164799821
Molecular FormulaC26H17BO3
Molecular Weight388.23 g/mol
Exact Mass388.13
IUPAC Name(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1cccc2c(-c3ccc4oc5ccc6ccccc6c5c4c3)cccc12
InChIInChI=1S/C26H17BO3/c28-27(29)23-10-4-8-20-18(7-3-9-21(20)23)17-12-13-24-22(15-17)26-19-6-2-1-5-16(19)11-14-25(26)30-24/h1-15,28-29H
InChIKeyZDDQMQQWNCGRHL-UHFFFAOYSA-N
XLogP5.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.23
LogP ≤ 55.24
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

10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
10-[4-(4-fluorophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 170374860
4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine
CID 163643387
10-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164831036
(8-phenyldibenzofuran-1-yl)boronic acid
CID 123712024
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
CID 174184732

Frequently Asked Questions

What is the IUPAC name of (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid?
The IUPAC name of (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid (CID 164799821) is (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid.
What is the SMILES notation for (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid?
The canonical SMILES for (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid is OB(O)c1cccc2c(-c3ccc4oc5ccc6ccccc6c5c4c3)cccc12.
What is the InChIKey of (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid?
The InChIKey is ZDDQMQQWNCGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BO3/c28-27(29)23-10-4-8-20-18(7-3-9-21(20)23)17-12-13-24-22(15-17)26-19-6-2-1-5-16(19)11-14-25(26)30-24/h1-15,28-29H.
What are the key properties of (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid?
(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid has a molecular weight of 388.23 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid is sourced from PubChem (CID 164799821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).