pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine

C135H95Ir5N13S-10 — CID 157425699

IUPACpentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccn2)cc1-c1ccccn1.[c-]1ccc(-c2ccsc2)cc1-c1ccccn1.[c-]1ccc(-c2ncccn2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C17H12N.C16H11N2.C15H10N3.C15H10NS.5C11H8N.5Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-16-14(7-1)12-5-3-6-13(11-12)15-17-9-4-10-18-15;1-2-8-16-15(6-1)13-5-3-4-12(10-13)14-7-9-17-11-14;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*1-9,11-13H;1-6,8-12H;1-4,6-11H;1-4,6-11H;5*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyWTSFLGIVPMGKLU-UHFFFAOYSA-N
MW2892.49 g/mol
LogP32.06
Rot. Bonds15

About pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine

pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine (PubChem CID 157425699) has the molecular formula C135H95Ir5N13S-10 and a molecular weight of 2892.49 g/mol. Its IUPAC name is pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Namepentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine
PubChem CID157425699
Molecular FormulaC135H95Ir5N13S-10
Molecular Weight2892.49 g/mol
Exact Mass2894.58
IUPAC Namepentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccn2)cc1-c1ccccn1.[c-]1ccc(-c2ccsc2)cc1-c1ccccn1.[c-]1ccc(-c2ncccn2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C17H12N.C16H11N2.C15H10N3.C15H10NS.5C11H8N.5Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-16-14(7-1)12-5-3-6-13(11-12)15-17-9-4-10-18-15;1-2-8-16-15(6-1)13-5-3-4-12(10-13)14-7-9-17-11-14;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*1-9,11-13H;1-6,8-12H;1-4,6-11H;1-4,6-11H;5*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyWTSFLGIVPMGKLU-UHFFFAOYSA-N
XLogP32.06
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002892.49
LogP ≤ 532.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine with MolForge

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Related Compounds

(Z)-3-[4-[2-[4-[4-[(Z)-2-cyanoethenyl]phenyl]-6-pyrimidin-2-yl-2-pyridinyl]-4-pyridinyl]phenyl]prop-2-enenitrile;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140687490
6-Tert-butyl-3-(4,5-dimethylthiophen-2-yl)-2-propan-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-thiophen-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-2-yl)-6-phenylimidazo[4,5-b]pyridine;6-methyl-3-(3-phenylphenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;6-phenyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 161531223
dimethyl-[6-(8-methyl-2-phenyl-6H-thieno[2,3-h]quinazolin-6-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]-(4-phenyl-6-phenyl-2-pyridinyl)silane;platinum(2+)
CID 165168032
8-[4,6-Bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058978
8-[2,4,5-Trimethyl-1-[2-[4-[2,3,5-trimethyl-4-(3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrrol-1-yl]dibenzothiophen-2-yl]dibenzothiophen-4-yl]pyrrol-3-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059125
2-[9,10,12,21,22,23,24-Heptakis([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,23-dodecaen-11-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 58978768
9-[3-(3-Dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole
CID 89027523
5-[3,5-Bis[8,8-dimethyl-11-[1-(2,4,6-triphenylpyrimidin-5-yl)propan-2-yl]-4,12-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl]phenyl]-11-[1-(2-cyclohexa-2,4-dien-1-yl-4,6-diphenylpyrimidin-5-yl)propan-2-yl]-8,8-dimethyl-8lambda4-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 89308814
6-Pyridin-2-yl-9-[9-[3-[6-(6-pyridin-2-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]-1-benzothiophen-5-yl]pyrido[2,3-b]indol-6-yl]pyrido[2,3-b]indole
CID 90251060
6-Pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251064
6-Pyrido[4,3-b]indol-5-yl-9-[3-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251065
8-Pyrido[2,3-b]indol-9-yl-5-[3-(8-pyrido[2,3-b]indol-9-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251077

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine?
The IUPAC name of pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine (CID 157425699) is pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine is [Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccn2)cc1-c1ccccn1.[c-]1ccc(-c2ccsc2)cc1-c1ccccn1.[c-]1ccc(-c2ncccn2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine?
The InChIKey is WTSFLGIVPMGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12N.C16H11N2.C15H10N3.C15H10NS.5C11H8N.5Ir/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-2-8-16-14(7-1)12-5-3-6-13(11-12)15-17-9-4-10-18-15;1-2-8-16-15(6-1)13-5-3-4-12(10-13)14-7-9-17-11-14;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*1-9,11-13H;1-6,8-12H;1-4,6-11H;1-4,6-11H;5*1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine?
pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine has a molecular weight of 2892.49 g/mol, XLogP of 32.06, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 157425699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).