2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid

C88H62B3Br3N4O6 — CID 158106702

IUPAC2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid
SMILESBrc1cccc(-c2ccncc2)n1.Brc1cccc(Br)n1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccncc1
InChIInChI=1S/2C34H23BO2.C10H7BrN2.C5H6BNO2.C5H3Br2N/c2*36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;8-6(9)5-1-3-7-4-2-5;6-4-2-1-3-5(7)8-4/h2*1-21,36-37H;1-7H;1-4,8-9H;1-3H
InChIKeyFPXRYUJQXIKARZ-UHFFFAOYSA-N
MW1543.63 g/mol
LogP18.90
Rot. Bonds8

About 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid

2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid (PubChem CID 158106702) has the molecular formula C88H62B3Br3N4O6 and a molecular weight of 1543.63 g/mol. Its IUPAC name is 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid.

Molecular Properties

Compound Name2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid
PubChem CID158106702
Molecular FormulaC88H62B3Br3N4O6
Molecular Weight1543.63 g/mol
Exact Mass1540.25
IUPAC Name2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid
SMILESBrc1cccc(-c2ccncc2)n1.Brc1cccc(Br)n1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccncc1
InChIInChI=1S/2C34H23BO2.C10H7BrN2.C5H6BNO2.C5H3Br2N/c2*36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;8-6(9)5-1-3-7-4-2-5;6-4-2-1-3-5(7)8-4/h2*1-21,36-37H;1-7H;1-4,8-9H;1-3H
InChIKeyFPXRYUJQXIKARZ-UHFFFAOYSA-N
XLogP18.90
TPSA172.94 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.63
LogP ≤ 518.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid with MolForge

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Related Compounds

(9,10-dinaphthalen-2-yl-6,7-didehydroanthracen-2-yl)boronic acid;ethane
CID 143809006
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 118314002
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
CID 158287814
4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine
CID 160769700
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 167563167
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
2-[4-(10-bromoanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;naphthalen-2-ylboronic acid
CID 159733826
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid?
The IUPAC name of 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid (CID 158106702) is 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid.
What is the SMILES notation for 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid?
The canonical SMILES for 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid is Brc1cccc(-c2ccncc2)n1.Brc1cccc(Br)n1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccncc1.
What is the InChIKey of 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid?
The InChIKey is FPXRYUJQXIKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H23BO2.C10H7BrN2.C5H6BNO2.C5H3Br2N/c2*36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;11-10-3-1-2-9(13-10)8-4-6-12-7-5-8;8-6(9)5-1-3-7-4-2-5;6-4-2-1-3-5(7)8-4/h2*1-21,36-37H;1-7H;1-4,8-9H;1-3H.
What are the key properties of 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid?
2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid has a molecular weight of 1543.63 g/mol, XLogP of 18.90, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-pyridin-4-ylpyridine;2,6-dibromopyridine;bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-4-ylboronic acid is sourced from PubChem (CID 158106702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).