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

C106H75B2Br2IO4 — CID 158407043

IUPAC1-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
SMILESBrc1cccc(-c2ccc(-c3ccccc3)c3ccccc23)c1.Brc1cccc(I)c1.OB(O)c1ccc(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C42H28.C22H15Br.C20H15BO2.C16H13BO2.C6H4BrI/c1-2-12-30(13-3-1)35-23-24-36(40-18-7-6-17-39(35)40)32-15-10-16-33(28-32)37-25-26-38(42-20-9-8-19-41(37)42)34-22-21-29-11-4-5-14-31(29)27-34;23-18-10-6-9-17(15-18)20-14-13-19(16-7-2-1-3-8-16)21-11-4-5-12-22(20)21;22-21(23)20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16;18-17(19)16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16;7-5-2-1-3-6(8)4-5/h1-28H;1-15H;1-13,22-23H;1-11,18-19H;1-4H
InChIKeyGYVFJEWLUVUYIC-UHFFFAOYSA-N
MW1721.10 g/mol
LogP27.33
Rot. Bonds10

About 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

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 (PubChem CID 158407043) has the molecular formula C106H75B2Br2IO4 and a molecular weight of 1721.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158407043
Molecular FormulaC106H75B2Br2IO4
Molecular Weight1721.10 g/mol
Exact Mass1718.33
IUPAC Name1-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
SMILESBrc1cccc(-c2ccc(-c3ccccc3)c3ccccc23)c1.Brc1cccc(I)c1.OB(O)c1ccc(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C42H28.C22H15Br.C20H15BO2.C16H13BO2.C6H4BrI/c1-2-12-30(13-3-1)35-23-24-36(40-18-7-6-17-39(35)40)32-15-10-16-33(28-32)37-25-26-38(42-20-9-8-19-41(37)42)34-22-21-29-11-4-5-14-31(29)27-34;23-18-10-6-9-17(15-18)20-14-13-19(16-7-2-1-3-8-16)21-11-4-5-12-22(20)21;22-21(23)20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16;18-17(19)16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16;7-5-2-1-3-6(8)4-5/h1-28H;1-15H;1-13,22-23H;1-11,18-19H;1-4H
InChIKeyGYVFJEWLUVUYIC-UHFFFAOYSA-N
XLogP27.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001721.10
LogP ≤ 527.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

[4-(4-phenylphenyl)naphthalen-1-yl]boronic acid
CID 73099569
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CID 159321571
4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole;(6-naphthalen-2-ylpyren-1-yl)boronic acid;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]-3,5-diphenyl-1,2,4-triazole
CID 161383522
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
6,11-dibromo-1,2,3,4-tetraphenyltriphenylene;pyren-1-ylboronic acid;1,2,3,4-tetraphenyl-6,11-di(pyren-1-yl)triphenylene
CID 158602938
4-(3-bromophenyl)dibenzothiophene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene
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CID 157179117
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
CID 70994486
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
1-bromo-3-iodobenzene;4-[4-(3-bromophenyl)phenyl]dibenzothiophene;(4-dibenzothiophen-4-ylphenyl)boronic acid
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CID 161047613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(-c2ccc(-c3ccccc3)c3ccccc23)c1.Brc1cccc(I)c1.OB(O)c1ccc(-c2ccc3ccccc3c2)c2ccccc12.OB(O)c1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc6ccccc6c5)c5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is GYVFJEWLUVUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.C22H15Br.C20H15BO2.C16H13BO2.C6H4BrI/c1-2-12-30(13-3-1)35-23-24-36(40-18-7-6-17-39(35)40)32-15-10-16-33(28-32)37-25-26-38(42-20-9-8-19-41(37)42)34-22-21-29-11-4-5-14-31(29)27-34;23-18-10-6-9-17(15-18)20-14-13-19(16-7-2-1-3-8-16)21-11-4-5-12-22(20)21;22-21(23)20-12-11-17(18-7-3-4-8-19(18)20)16-10-9-14-5-1-2-6-15(14)13-16;18-17(19)16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16;7-5-2-1-3-6(8)4-5/h1-28H;1-15H;1-13,22-23H;1-11,18-19H;1-4H.
What are the key properties of 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?
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 has a molecular weight of 1721.10 g/mol, XLogP of 27.33, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158407043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).