1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran

C90H61B2Br2IO7 — CID 159321571

IUPAC1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran
SMILESBrc1cccc(-c2cc3ccccc3o2)c1.Brc1cccc(I)c1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1cc2ccccc2o1.c1cc(-c2cc3ccccc3o2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C38H24O.C24H17BO2.C14H9BrO.C8H7BO3.C6H4BrI/c1-2-11-26-22-30(21-20-25(26)10-1)38-33-17-6-4-15-31(33)37(32-16-5-7-18-34(32)38)29-14-9-13-27(23-29)36-24-28-12-3-8-19-35(28)39-36;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;7-5-2-1-3-6(8)4-5/h1-24H;1-15,26-27H;1-9H;1-5,10-11H;1-4H
InChIKeyLDVIUPMBYXZHOM-UHFFFAOYSA-N
MW1562.81 g/mol
LogP23.42
Rot. Bonds7

About 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran

1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran (PubChem CID 159321571) has the molecular formula C90H61B2Br2IO7 and a molecular weight of 1562.81 g/mol. Its IUPAC name is 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran
PubChem CID159321571
Molecular FormulaC90H61B2Br2IO7
Molecular Weight1562.81 g/mol
Exact Mass1560.20
IUPAC Name1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran
SMILESBrc1cccc(-c2cc3ccccc3o2)c1.Brc1cccc(I)c1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1cc2ccccc2o1.c1cc(-c2cc3ccccc3o2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C38H24O.C24H17BO2.C14H9BrO.C8H7BO3.C6H4BrI/c1-2-11-26-22-30(21-20-25(26)10-1)38-33-17-6-4-15-31(33)37(32-16-5-7-18-34(32)38)29-14-9-13-27(23-29)36-24-28-12-3-8-19-35(28)39-36;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;7-5-2-1-3-6(8)4-5/h1-24H;1-15,26-27H;1-9H;1-5,10-11H;1-4H
InChIKeyLDVIUPMBYXZHOM-UHFFFAOYSA-N
XLogP23.42
TPSA120.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.81
LogP ≤ 523.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)triphenylene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 161175720
4-(3-bromophenyl)dibenzofuran;methane;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 162217055
3-bromophenanthrene;[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]boronic acid;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-3-ylanthracene
CID 162212474
4-(3-bromophenyl)dibenzothiophene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 161071042
2-(3-bromophenyl)dibenzofuran;[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]boronic acid;2-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160536031
2,6-dibromonaphthalene;[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]boronic acid;9-(6-phenylnaphthalen-2-yl)-10-[6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 162087825
1-bromo-3-iodobenzene;1-(3-bromophenyl)-4-phenylnaphthalene;(4-naphthalen-2-ylnaphthalen-1-yl)boronic acid;1-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]naphthalene;(4-phenylnaphthalen-1-yl)boronic acid
CID 158407043
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-benzofuran;bis(2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran);2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran
CID 157111985
9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
CID 159162204
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran?
The IUPAC name of 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran (CID 159321571) is 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran.
What is the SMILES notation for 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran?
The canonical SMILES for 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran is Brc1cccc(-c2cc3ccccc3o2)c1.Brc1cccc(I)c1.OB(O)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1cc2ccccc2o1.c1cc(-c2cc3ccccc3o2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran?
The InChIKey is LDVIUPMBYXZHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O.C24H17BO2.C14H9BrO.C8H7BO3.C6H4BrI/c1-2-11-26-22-30(21-20-25(26)10-1)38-33-17-6-4-15-31(33)37(32-16-5-7-18-34(32)38)29-14-9-13-27(23-29)36-24-28-12-3-8-19-35(28)39-36;26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18;15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14;10-9(11)8-5-6-3-1-2-4-7(6)12-8;7-5-2-1-3-6(8)4-5/h1-24H;1-15,26-27H;1-9H;1-5,10-11H;1-4H.
What are the key properties of 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran?
1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran has a molecular weight of 1562.81 g/mol, XLogP of 23.42, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylboronic acid;1-bromo-3-iodobenzene;2-(3-bromophenyl)-1-benzofuran;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran is sourced from PubChem (CID 159321571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).