2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine

C150H118BBr2Ir3N9O6P — CID 159250357

About 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine

2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine (PubChem CID 159250357) has the molecular formula C150H118BBr2Ir3N9O6P and a molecular weight of 2920.90 g/mol. Its IUPAC name is 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine
• PubChem CID: 159250357
• Molecular Formula: C150H118BBr2Ir3N9O6P
• Molecular Weight: 2920.90 g/mol
• Exact Mass: 2919.63
• IUPAC Name: 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine
• SMILES: C=Cc1cc(C=C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.CC1(C)OB(c2cc[c-]c(-c3ccccn3)c2)OC1(C)C.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1cc(Br)cc(C=O)c1.O=Cc1cc(C=O)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C21H16N.C19H18BrP.C19H12NO2.C17H19BNO2.6C11H8N.C8H5BrO2.3Ir/c1-3-16-12-17(4-2)14-20(13-16)18-8-7-9-19(15-18)21-10-5-6-11-22-21;1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;21-12-14-8-15(13-22)10-18(9-14)16-4-3-5-17(11-16)19-6-1-2-7-20-19;1-16(2)17(3,4)21-18(20-16)14-9-7-8-13(12-14)15-10-5-6-11-19-15;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-8-2-6(4-10)1-7(3-8)5-11;;;/h3-8,10-15H,1-2H2;2-16H,1H3;1-4,6-13H;5-7,9-12H,1-4H3;6*1-6,8-9H;1-5H;;;/q-1;;8*-1;;3*+3
• InChIKey: NAIJXIRZRSEYLQ-UHFFFAOYSA-N
• XLogP: 34.01
• TPSA: 202.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2920.90
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine (CID 159250357) is 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine is C=Cc1cc(C=C)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.CC1(C)OB(c2cc[c-]c(-c3ccccn3)c2)OC1(C)C.CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1cc(Br)cc(C=O)c1.O=Cc1cc(C=O)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine?

The InChIKey is NAIJXIRZRSEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N.C19H18BrP.C19H12NO2.C17H19BNO2.6C11H8N.C8H5BrO2.3Ir/c1-3-16-12-17(4-2)14-20(13-16)18-8-7-9-19(15-18)21-10-5-6-11-22-21;1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;21-12-14-8-15(13-22)10-18(9-14)16-4-3-5-17(11-16)19-6-1-2-7-20-19;1-16(2)17(3,4)21-18(20-16)14-9-7-8-13(12-14)15-10-5-6-11-19-15;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-8-2-6(4-10)1-7(3-8)5-11;;;/h3-8,10-15H,1-2H2;2-16H,1H3;1-4,6-13H;5-7,9-12H,1-4H3;6*1-6,8-9H;1-5H;;;/q-1;;8*-1;;3*+3.

What are the key properties of 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine?

2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine has a molecular weight of 2920.90 g/mol, XLogP of 34.01, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-bis(ethenyl)phenyl]benzene-6-id-1-yl]pyridine;5-bromobenzene-1,3-dicarbaldehyde;bromo-methyl-triphenyl-λ5-phosphane;tris(iridium(3+));hexakis(2-phenylpyridine);5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,3-dicarbaldehyde;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159250357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).