bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C152H137B5Br6IrN3O15 — CID 162023204

IUPACbis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cc[c-]c(-c2ccccn2)c1.Brc1cc[c-]c(-c2ccccn2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(B(O)O)c1.[Ir+3].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C25H25BO3.2C19H13BrO.C12H24B2O4.C12H8Br2.2C11H7BrN.C11H8N.C7H7BO3.Ir/c2*1-24(2)25(3,4)29-26(28-24)23-13-7-12-22(16-23)21-11-6-10-20(15-21)19-9-5-8-18(14-19)17-27;2*20-19-9-3-8-18(12-19)17-7-2-6-16(11-17)15-5-1-4-14(10-15)13-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-5-6-2-1-3-7(4-6)8(10)11;/h2*5-17H,1-4H3;2*1-13H;1-8H3;1-8H;2*1-3,5-8H;1-6,8-9H;1-5,10-11H;/q;;;;;;3*-1;;+3
InChIKeyGTOHAEYOOKBGSI-UHFFFAOYSA-N
MW2971.47 g/mol
LogP36.93
Rot. Bonds21

About bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162023204) has the molecular formula C152H137B5Br6IrN3O15 and a molecular weight of 2971.47 g/mol. Its IUPAC name is bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namebis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID162023204
Molecular FormulaC152H137B5Br6IrN3O15
Molecular Weight2971.47 g/mol
Exact Mass2965.52
IUPAC Namebis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cc[c-]c(-c2ccccn2)c1.Brc1cc[c-]c(-c2ccccn2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(B(O)O)c1.[Ir+3].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C25H25BO3.2C19H13BrO.C12H24B2O4.C12H8Br2.2C11H7BrN.C11H8N.C7H7BO3.Ir/c2*1-24(2)25(3,4)29-26(28-24)23-13-7-12-22(16-23)21-11-6-10-20(15-21)19-9-5-8-18(14-19)17-27;2*20-19-9-3-8-18(12-19)17-7-2-6-16(11-17)15-5-1-4-14(10-15)13-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-5-6-2-1-3-7(4-6)8(10)11;/h2*5-17H,1-4H3;2*1-13H;1-8H3;1-8H;2*1-3,5-8H;1-6,8-9H;1-5,10-11H;/q;;;;;;3*-1;;+3
InChIKeyGTOHAEYOOKBGSI-UHFFFAOYSA-N
XLogP36.93
TPSA238.32 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002971.47
LogP ≤ 536.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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'}

Analyze bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(iridium);bis(2-phenylpyridine);2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;dihydrate
CID 159870111
bromo-methyl-triphenyl-λ5-phosphane;2-[3-(3-ethenylphenyl)benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3-ethenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+));tris(2-phenylpyridine);bis(3-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);bis(3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]benzaldehyde)
CID 158839698
4-[3-(3-bromophenyl)phenyl]-2,6-dipyridin-4-ylpyridine;2,6-dipyridin-4-yl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160638304
bis(iridium);bis(2-phenylpyridine);2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159353497
4-[3-(4-formylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]benzaldehyde;iridium(3+);bis(2-phenylpyridine)
CID 59800879
2-(3-bromobenzene-6-id-1-yl)pyridine;13,13-dimethyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13,13-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;platinum
CID 158232386
1-bromo-3-phenylbenzene;deuterio(fluoro)methane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159802189
3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161440355
2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159010808
bis(4,5-dimethyl-2-phenylpyridine);bis(iridium);methanol;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158354543
2-(3-bromobenzene-6-id-1-yl)pyridine;iridium;1,10-phenanthroline
CID 58720836
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235

Frequently Asked Questions

What is the IUPAC name of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162023204) is bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cc[c-]c(-c2ccccn2)c1.Brc1cc[c-]c(-c2ccccn2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc(C=O)c4)c3)c2)OC1(C)C.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.O=Cc1cccc(B(O)O)c1.[Ir+3].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is GTOHAEYOOKBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25BO3.2C19H13BrO.C12H24B2O4.C12H8Br2.2C11H7BrN.C11H8N.C7H7BO3.Ir/c2*1-24(2)25(3,4)29-26(28-24)23-13-7-12-22(16-23)21-11-6-10-20(15-21)19-9-5-8-18(14-19)17-27;2*20-19-9-3-8-18(12-19)17-7-2-6-16(11-17)15-5-1-4-14(10-15)13-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;2*12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;9-5-6-2-1-3-7(4-6)8(10)11;/h2*5-17H,1-4H3;2*1-13H;1-8H3;1-8H;2*1-3,5-8H;1-6,8-9H;1-5,10-11H;/q;;;;;;3*-1;;+3.
What are the key properties of bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2971.47 g/mol, XLogP of 36.93, 21 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3-bromobenzene-6-id-1-yl)pyridine);1-bromo-3-(3-bromophenyl)benzene;bis(3-[3-(3-bromophenyl)phenyl]benzaldehyde);(3-formylphenyl)boronic acid;iridium(3+);2-phenylpyridine;bis(3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzaldehyde);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).