(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene

C25H21BO3 — CID 144619381

IUPAC(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene
SMILESC=CC.OB(O)c1cccc(-c2cc3ccccc3c3c2oc2ccccc23)c1
InChIInChI=1S/C22H15BO3.C3H6/c24-23(25)16-8-5-7-14(12-16)19-13-15-6-1-2-9-17(15)21-18-10-3-4-11-20(18)26-22(19)21;1-3-2/h1-13,24-25H;3H,1H2,2H3
InChIKeyLSBYHMYLASPHBS-UHFFFAOYSA-N
MW380.25 g/mol
LogP5.28
Rot. Bonds2

About (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene

(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene (PubChem CID 144619381) has the molecular formula C25H21BO3 and a molecular weight of 380.25 g/mol. Its IUPAC name is (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene.

Molecular Properties

Compound Name(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene
PubChem CID144619381
Molecular FormulaC25H21BO3
Molecular Weight380.25 g/mol
Exact Mass380.16
IUPAC Name(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene
SMILESC=CC.OB(O)c1cccc(-c2cc3ccccc3c3c2oc2ccccc23)c1
InChIInChI=1S/C22H15BO3.C3H6/c24-23(25)16-8-5-7-14(12-16)19-13-15-6-1-2-9-17(15)21-18-10-3-4-11-20(18)26-22(19)21;1-3-2/h1-13,24-25H;3H,1H2,2H3
InChIKeyLSBYHMYLASPHBS-UHFFFAOYSA-N
XLogP5.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.25
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
22-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185289
3-[3-(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;(3Z)-penta-1,3-diene
CID 144619378
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
6-(7-chloronaphthalen-2-yl)naphtho[2,1-b][1]benzofuran
CID 177271135
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 176844569

Frequently Asked Questions

What is the IUPAC name of (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene?
The IUPAC name of (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene (CID 144619381) is (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene.
What is the SMILES notation for (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene?
The canonical SMILES for (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene is C=CC.OB(O)c1cccc(-c2cc3ccccc3c3c2oc2ccccc23)c1.
What is the InChIKey of (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene?
The InChIKey is LSBYHMYLASPHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BO3.C3H6/c24-23(25)16-8-5-7-14(12-16)19-13-15-6-1-2-9-17(15)21-18-10-3-4-11-20(18)26-22(19)21;1-3-2/h1-13,24-25H;3H,1H2,2H3.
What are the key properties of (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene?
(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene has a molecular weight of 380.25 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene is sourced from PubChem (CID 144619381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).