2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C183H154BBr2Ir4N15O2 — CID 158990411

About 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 158990411) has the molecular formula C183H154BBr2Ir4N15O2 and a molecular weight of 3534.84 g/mol. Its IUPAC name is 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 158990411
• Molecular Formula: C183H154BBr2Ir4N15O2
• Molecular Weight: 3534.84 g/mol
• Exact Mass: 3533.94
• IUPAC Name: 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: Brc1cc[c-]c(-c2ccccn2)c1.C.C.C.C=Cc1ccc(Br)cc1.C=Cc1ccc(N(c2ccc(C=C)cc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.Nc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C33H25N2.C17H13N2.C12H18BNO2.C11H7BrN.9C11H8N.C8H7Br.3CH4.4Ir/c1-3-25-11-17-30(18-12-25)35(31-19-13-26(4-2)14-20-31)32-21-15-27(16-22-32)28-8-7-9-29(24-28)33-10-5-6-23-34-33;18-16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-19-17;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;9*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-7-3-5-8(9)6-4-7;;;;;;;/h3-8,10-24H,1-2H2;1-4,6-12H,18H2;5-8H,14H2,1-4H3;1-3,5-8H;9*1-6,8-9H;2-6H,1H2;3*1H4;;;;/q2*-1;;10*-1;;;;;4*+3
• InChIKey: DSKYSTJNVHDQLB-UHFFFAOYSA-N
• XLogP: 45.58
• TPSA: 228.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3534.84
LogP ≤ 5	45.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 158990411) is 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is Brc1cc[c-]c(-c2ccccn2)c1.C.C.C.C=Cc1ccc(Br)cc1.C=Cc1ccc(N(c2ccc(C=C)cc2)c2ccc(-c3cc[c-]c(-c4ccccn4)c3)cc2)cc1.CC1(C)OB(c2ccc(N)cc2)OC1(C)C.Nc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[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-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is DSKYSTJNVHDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N2.C17H13N2.C12H18BNO2.C11H7BrN.9C11H8N.C8H7Br.3CH4.4Ir/c1-3-25-11-17-30(18-12-25)35(31-19-13-26(4-2)14-20-31)32-21-15-27(16-22-32)28-8-7-9-29(24-28)33-10-5-6-23-34-33;18-16-9-7-13(8-10-16)14-4-3-5-15(12-14)17-6-1-2-11-19-17;1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;9*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-7-3-5-8(9)6-4-7;;;;;;;/h3-8,10-24H,1-2H2;1-4,6-12H,18H2;5-8H,14H2,1-4H3;1-3,5-8H;9*1-6,8-9H;2-6H,1H2;3*1H4;;;;/q2*-1;;10*-1;;;;;4*+3.

What are the key properties of 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 3534.84 g/mol, XLogP of 45.58, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromobenzene-6-id-1-yl)pyridine;1-bromo-4-ethenylbenzene;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;tetrakis(iridium(3+));methane;nonakis(2-phenylpyridine);4-(3-pyridin-2-ylbenzene-4-id-1-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 158990411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).