pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)

C145H110Ir5N10-10 — CID 162204735

IUPACpentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C18H14N.C17H12N.C12H10N.4C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;2*1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*2-10,12-13H,1H3;2*2-9,11-13H,1H3;1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyIFCMKNUOOWEGKE-UHFFFAOYSA-N
MW2953.63 g/mol
LogP35.35
Rot. Bonds15

About pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)

pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) (PubChem CID 162204735) has the molecular formula C145H110Ir5N10-10 and a molecular weight of 2953.63 g/mol. Its IUPAC name is pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine).

Molecular Properties

Compound Namepentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
PubChem CID162204735
Molecular FormulaC145H110Ir5N10-10
Molecular Weight2953.63 g/mol
Exact Mass2955.71
IUPAC Namepentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/4C18H14N.C17H12N.C12H10N.4C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;2*1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*2-10,12-13H,1H3;2*2-9,11-13H,1H3;1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;
InChIKeyIFCMKNUOOWEGKE-UHFFFAOYSA-N
XLogP35.35
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms160
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002953.63
LogP ≤ 535.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) 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

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)?
The IUPAC name of pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) (CID 162204735) is pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine).
What is the SMILES notation for pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)?
The canonical SMILES for pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)?
The InChIKey is IFCMKNUOOWEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H14N.C17H12N.C12H10N.4C11H8N.5Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;2*1-14-11-12-19-18(13-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h2*2-10,12-13H,1H3;2*2-9,11-13H,1H3;1-11,13H;2-7,9H,1H3;4*1-6,8-9H;;;;;/q10*-1;;;;;.
What are the key properties of pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)?
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) has a molecular weight of 2953.63 g/mol, XLogP of 35.35, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine) is sourced from PubChem (CID 162204735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).