2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine

C107H76B2Br4N6O5 — CID 158487576

About 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine

2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine (PubChem CID 158487576) has the molecular formula C107H76B2Br4N6O5 and a molecular weight of 1867.06 g/mol. Its IUPAC name is 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine
• PubChem CID: 158487576
• Molecular Formula: C107H76B2Br4N6O5
• Molecular Weight: 1867.06 g/mol
• Exact Mass: 1862.28
• IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine
• SMILES: Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2cn3ccccc3n2)cc1.Nc1ccccn1.O=C(CBr)c1ccc(Br)cc1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
• InChI: InChI=1S/2C34H23BO2.2C13H9BrN2.C8H6Br2O.C5H6N2/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;2*14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12;9-5-8(11)6-1-3-7(10)4-2-6;6-5-3-1-2-4-7-5/h2*1-21,36-37H;2*1-9H;1-4H,5H2;1-4H,(H2,6,7)
• InChIKey: HIHCGEUSSVQLIA-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 171.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.06
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine?

The IUPAC name of 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine (CID 158487576) is 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine.

What is the SMILES notation for 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine?

The canonical SMILES for 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine is Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2cn3ccccc3n2)cc1.Nc1ccccn1.O=C(CBr)c1ccc(Br)cc1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.

What is the InChIKey of 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine?

The InChIKey is HIHCGEUSSVQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H23BO2.2C13H9BrN2.C8H6Br2O.C5H6N2/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;2*14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12;9-5-8(11)6-1-3-7(10)4-2-6;6-5-3-1-2-4-7-5/h2*1-21,36-37H;2*1-9H;1-4H,5H2;1-4H,(H2,6,7).

What are the key properties of 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine?

2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine has a molecular weight of 1867.06 g/mol, XLogP of 25.84, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);bis((9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid);pyridin-2-amine is sourced from PubChem (CID 158487576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).