tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine

C153H118Ir4N12-8 — CID 162040974

IUPACtetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
SMILESCC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H17N2.3C22H19N2.3C17H12N.C11H8N.4Ir/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;3*1-16(2)18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)23-22(24)17-10-4-3-5-11-17;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-18H;3*3-10,12-16H,1-2H3;3*1-9,11-13H;1-6,8-9H;;;;/q8*-1;;;;
InChIKeySAPVBLRFBWCSDQ-UHFFFAOYSA-N
MW2893.58 g/mol
LogP38.19
Rot. Bonds19

About tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine

tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine (PubChem CID 162040974) has the molecular formula C153H118Ir4N12-8 and a molecular weight of 2893.58 g/mol. Its IUPAC name is tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine.

Molecular Properties

Compound Nametetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
PubChem CID162040974
Molecular FormulaC153H118Ir4N12-8
Molecular Weight2893.58 g/mol
Exact Mass2894.82
IUPAC Nametetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine
SMILESCC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H17N2.3C22H19N2.3C17H12N.C11H8N.4Ir/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;3*1-16(2)18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)23-22(24)17-10-4-3-5-11-17;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-18H;3*3-10,12-16H,1-2H3;3*1-9,11-13H;1-6,8-9H;;;;/q8*-1;;;;
InChIKeySAPVBLRFBWCSDQ-UHFFFAOYSA-N
XLogP38.19
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.58
LogP ≤ 538.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

iridium;5-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426870
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole;iridium
CID 140599983
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388065
iridium;2-(3H-phenanthren-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 164790859
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388197
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-6-phenyl-2-phenylbenzimidazole;5-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-phenylpyridine;iridium
CID 166564078
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
2-(2,8-diphenyl-4H-[1]benzofuro[5,4-b][1]benzofuran-4-id-5-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 171426334
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,5-diphenylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658677

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine?
The IUPAC name of tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine (CID 162040974) is tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine.
What is the SMILES notation for tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine?
The canonical SMILES for tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine is CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(-c2ccccc2)cn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.
What is the InChIKey of tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine?
The InChIKey is SAPVBLRFBWCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N2.3C22H19N2.3C17H12N.C11H8N.4Ir/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;3*1-16(2)18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)23-22(24)17-10-4-3-5-11-17;1-3-7-14(8-4-1)16-11-12-17(18-13-16)15-9-5-2-6-10-15;2*1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-18H;3*3-10,12-16H,1-2H3;3*1-9,11-13H;1-6,8-9H;;;;/q8*-1;;;;.
What are the key properties of tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine?
tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine has a molecular weight of 2893.58 g/mol, XLogP of 38.19, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);bis(2-(3-phenylbenzene-6-id-1-yl)pyridine);2-phenyl-1-(2-phenylphenyl)benzimidazole;5-phenyl-2-phenylpyridine;tris(2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole);2-phenylpyridine is sourced from PubChem (CID 162040974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).