8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine

C84H61BBr4N8O3 — CID 159070732

About 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine

8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine (PubChem CID 159070732) has the molecular formula C84H61BBr4N8O3 and a molecular weight of 1560.89 g/mol. Its IUPAC name is 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine.

Molecular Properties

• Compound Name: 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine
• PubChem CID: 159070732
• Molecular Formula: C84H61BBr4N8O3
• Molecular Weight: 1560.89 g/mol
• Exact Mass: 1556.17
• IUPAC Name: 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine
• SMILES: Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2cn3ccccc3n2)cc1.Nc1ccccn1.O=C(CBr)c1ccc(Br)cc1.OB(O)C1=CC=C2C=CC3=C4C(=CC=C1C24)CC=C3.c1cc2ccc3ccc(-c4ccc(-c5cn6ccccc6n5)cc4)c4ccc(c1)c2c34
• InChI: InChI=1S/C29H18N2.C16H13BO2.2C13H9BrN2.C8H6Br2O.C5H6N2/c1-2-17-31-18-26(30-27(31)6-1)20-9-7-19(8-10-20)24-15-13-23-12-11-21-4-3-5-22-14-16-25(24)29(23)28(21)22;18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;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/h1-18H;1-2,4-9,16,18-19H,3H2;2*1-9H;1-4H,5H2;1-4H,(H2,6,7)
• InChIKey: JZPPACOMRUDPLR-UHFFFAOYSA-N
• XLogP: 20.96
• TPSA: 148.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.89
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	3
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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine?

The IUPAC name of 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine (CID 159070732) is 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine.

What is the SMILES notation for 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine?

The canonical SMILES for 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine is Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2cn3ccccc3n2)cc1.Nc1ccccn1.O=C(CBr)c1ccc(Br)cc1.OB(O)C1=CC=C2C=CC3=C4C(=CC=C1C24)CC=C3.c1cc2ccc3ccc(-c4ccc(-c5cn6ccccc6n5)cc4)c4ccc(c1)c2c34.

What is the InChIKey of 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine?

The InChIKey is JZPPACOMRUDPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2.C16H13BO2.2C13H9BrN2.C8H6Br2O.C5H6N2/c1-2-17-31-18-26(30-27(31)6-1)20-9-7-19(8-10-20)24-15-13-23-12-11-21-4-3-5-22-14-16-25(24)29(23)28(21)22;18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;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/h1-18H;1-2,4-9,16,18-19H,3H2;2*1-9H;1-4H,5H2;1-4H,(H2,6,7).

What are the key properties of 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine?

8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine has a molecular weight of 1560.89 g/mol, XLogP of 20.96, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8,10b-dihydropyren-1-ylboronic acid;2-bromo-1-(4-bromophenyl)ethanone;bis(2-(4-bromophenyl)imidazo[1,2-a]pyridine);2-(4-pyren-1-ylphenyl)imidazo[1,2-a]pyridine;pyridin-2-amine is sourced from PubChem (CID 159070732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).