5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine

C114H118Br2IrN9 — CID 157280989

About 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine

5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine (PubChem CID 157280989) has the molecular formula C114H118Br2IrN9 and a molecular weight of 1966.29 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine
• PubChem CID: 157280989
• Molecular Formula: C114H118Br2IrN9
• Molecular Weight: 1966.29 g/mol
• Exact Mass: 1963.75
• IUPAC Name: 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine
• SMILES: CCCCCCc1cc(-c2ccc(Br)cn2)ccc1Br.CCCCCCc1cc(-c2ccc(C)cn2)ccc1C.CCCCCCc1cc[c-]c(-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3CCCCCC)cn2)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C35H41N2.C19H25N.C17H19Br2N.C11H9N.2C11H8N.C10H8N2.Ir/c1-4-6-8-10-13-28-14-12-16-30(23-28)35-22-19-32(26-37-35)33-20-18-31(34-21-17-27(3)25-36-34)24-29(33)15-11-9-7-5-2;1-4-5-6-7-8-17-13-18(11-10-16(17)3)19-12-9-15(2)14-20-19;1-2-3-4-5-6-13-11-14(7-9-16(13)19)17-10-8-15(18)12-20-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12,14,17-26H,4-11,13,15H2,1-3H3;9-14H,4-8H2,1-3H3;7-12H,2-6H2,1H3;1-9H;2*1-6,8-9H;1-8H;/q-1;;;;2*-1;;+3
• InChIKey: RPWOOGAYNYRVIF-UHFFFAOYSA-N
• XLogP: 31.70
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1966.29
LogP ≤ 5	31.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine?

The IUPAC name of 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine (CID 157280989) is 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine.

What is the SMILES notation for 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine?

The canonical SMILES for 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine is CCCCCCc1cc(-c2ccc(Br)cn2)ccc1Br.CCCCCCc1cc(-c2ccc(C)cn2)ccc1C.CCCCCCc1cc[c-]c(-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3CCCCCC)cn2)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine?

The InChIKey is RPWOOGAYNYRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N2.C19H25N.C17H19Br2N.C11H9N.2C11H8N.C10H8N2.Ir/c1-4-6-8-10-13-28-14-12-16-30(23-28)35-22-19-32(26-37-35)33-20-18-31(34-21-17-27(3)25-36-34)24-29(33)15-11-9-7-5-2;1-4-5-6-7-8-17-13-18(11-10-16(17)3)19-12-9-15(2)14-20-19;1-2-3-4-5-6-13-11-14(7-9-16(13)19)17-10-8-15(18)12-20-17;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12,14,17-26H,4-11,13,15H2,1-3H3;9-14H,4-8H2,1-3H3;7-12H,2-6H2,1H3;1-9H;2*1-6,8-9H;1-8H;/q-1;;;;2*-1;;+3.

What are the key properties of 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine?

5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine has a molecular weight of 1966.29 g/mol, XLogP of 31.70, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine is sourced from PubChem (CID 157280989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).