[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium

C204H156B2Br3Cl2N30O4Ru5+ — CID 157450965

IUPAC[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Cl[Ru][ClH+].OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1.[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccnc(-c8ccccn8)c7)cc6)cc5)cc4)cc3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C44H30N4.3C16H11BrN2.C12H12B2O4.10C10H8N2.2ClH.5Ru/c1-3-25-45-41(5-1)43-29-39(23-27-47-43)37-19-15-35(16-20-37)33-11-7-31(8-12-33)32-9-13-34(14-10-32)36-17-21-38(22-18-36)40-24-28-48-44(30-40)42-6-2-4-26-46-42;3*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18;10*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h1-30H;3*1-11H;1-8,15-18H;10*1-8H;2*1H;;;;;/q;;;;;;;;;;;;;;;;;;;;;+2/p-1
InChIKeyBSUJEFYQGXMENZ-UHFFFAOYSA-M
MW3929.29 g/mol
LogP45.21
Rot. Bonds26

About [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium

[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium (PubChem CID 157450965) has the molecular formula C204H156B2Br3Cl2N30O4Ru5+ and a molecular weight of 3929.29 g/mol. Its IUPAC name is [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium.

Molecular Properties

Compound Name[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium
PubChem CID157450965
Molecular FormulaC204H156B2Br3Cl2N30O4Ru5+
Molecular Weight3929.29 g/mol
Exact Mass3927.53
IUPAC Name[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Cl[Ru][ClH+].OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1.[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccnc(-c8ccccn8)c7)cc6)cc5)cc4)cc3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C44H30N4.3C16H11BrN2.C12H12B2O4.10C10H8N2.2ClH.5Ru/c1-3-25-45-41(5-1)43-29-39(23-27-47-43)37-19-15-35(16-20-37)33-11-7-31(8-12-33)32-9-13-34(14-10-32)36-17-21-38(22-18-36)40-24-28-48-44(30-40)42-6-2-4-26-46-42;3*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18;10*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h1-30H;3*1-11H;1-8,15-18H;10*1-8H;2*1H;;;;;/q;;;;;;;;;;;;;;;;;;;;;+2/p-1
InChIKeyBSUJEFYQGXMENZ-UHFFFAOYSA-M
XLogP45.21
TPSA467.62 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003929.29
LogP ≤ 545.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium 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

pentakis(iron(2+));pentakis(N-[(4-methylphenyl)methyl]-1-[5-[2-[6-[5-[2-[6-[(4-methylphenyl)methyliminomethyl]-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470413
pentakis(N-benzyl-1-[5-[2-[6-[5-[2-[6-(benzyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine);pentakis(iron(2+))
CID 53470414
pentakis(iron(2+));pentakis(N-(2-phenylethyl)-1-[5-[2-[6-[5-[2-[6-(2-phenylethyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470515
pentakis(iron(2+));pentakis(N-(3-phenylpropyl)-1-[5-[2-[6-[5-[2-[6-(3-phenylpropyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470518
pentakis(iron(2+));pentakis(N-(4-phenylbutyl)-1-[5-[2-[6-[5-[2-[6-(4-phenylbutyliminomethyl)-3-pyridinyl]ethyl]-2-pyridinyl]-3-pyridinyl]ethyl]-2-pyridinyl]methanimine)
CID 53470519
bis((12aZ,20Z,66Z)-1a,6,9,32,35,40a,41a,42,44a,45,45a,49a,52,52a,53a,55,56a,57a-octadecazapentacosacyclo[134.2.2.24,7.28,11.230,33.234,37.240,43.244,47.250,53.254,57.276,79.280,83.286,89.290,93.296,99.2100,103.2122,125.2126,129.2132,135.012,17.024,29.058,63.070,75.0104,109.0116,121]tetraheptacontahecta-a(1a),1(39a),2a(3a),4,4a(5a),6,6a(7a),8,8a(9a),10,12,12a(13a),14,16,16a(17a),18a(19a),20,20a(21a),22a(46a),23a(24a),24,25a(45a),26,26a(44a),27a(28a),28,29a(43a),30,32,32a(42a),33a(34a),34,35a(41a),36,36a(40a),37a(38a),40,42,44,46,47a(48a),49a(99),50,50a(96),51a(93),52,52a(90),53a(89),54,54a(86),55a(83),56,56a(80),57a(79),58,58a(76),59a(60a),60,61a(62a),62,63a(64a),65a(66a),66,67a(68a),69a(70a),70,71a(72a),72,73a(74a),74,77,81,87,91,97-pentaheptacontaene);hexakis(iron(2+))
CID 77282688
Tris(pyridine);5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;ZINC
CID 139050044
Chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)
CID 139051571
iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 58274069
4-(4-Methylphenyl)-2-pyridin-2-ylpyridine;hexakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]pyridine;2-pyridin-2-yl-4-[4-[2-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]pyridine;ruthenium
CID 59411955
4-(4-Methylphenyl)-2-pyridin-2-ylpyridine;hexakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]pyridine;2-pyridin-2-yl-4-[4-[2-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]pyridine;ruthenium
CID 59411959
bis(4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine);platinum;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 59873012

Frequently Asked Questions

What is the IUPAC name of [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium?
The IUPAC name of [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium (CID 157450965) is [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium.
What is the SMILES notation for [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium?
The canonical SMILES for [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium is Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Cl[Ru][ClH+].OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1.[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccnc(-c8ccccn8)c7)cc6)cc5)cc4)cc3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium?
The InChIKey is BSUJEFYQGXMENZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H30N4.3C16H11BrN2.C12H12B2O4.10C10H8N2.2ClH.5Ru/c1-3-25-45-41(5-1)43-29-39(23-27-47-43)37-19-15-35(16-20-37)33-11-7-31(8-12-33)32-9-13-34(14-10-32)36-17-21-38(22-18-36)40-24-28-48-44(30-40)42-6-2-4-26-46-42;3*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18;10*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h1-30H;3*1-11H;1-8,15-18H;10*1-8H;2*1H;;;;;/q;;;;;;;;;;;;;;;;;;;;;+2/p-1.
What are the key properties of [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium?
[4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium has a molecular weight of 3929.29 g/mol, XLogP of 45.21, 26 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-boronophenyl)phenyl]boronic acid;tris(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);chloro(chloronio)ruthenium;decakis(2-pyridin-2-ylpyridine);2-pyridin-2-yl-4-[4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyridine;ruthenium is sourced from PubChem (CID 157450965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).