pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine

C142H111Ir5N17-10 — CID 159414504

IUPACpentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
SMILESCC(C)Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1
InChIInChI=1S/C20H19N2.2C16H11N2.2C15H10N3.5C12H10N.5Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-7,9-12,14-15H,13H2,1-2H3;1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;
InChIKeyRKOSUAJJZQTHKD-UHFFFAOYSA-N
MW3016.65 g/mol
LogP32.32
Rot. Bonds17

About pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine

pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine (PubChem CID 159414504) has the molecular formula C142H111Ir5N17-10 and a molecular weight of 3016.65 g/mol. Its IUPAC name is pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Namepentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
PubChem CID159414504
Molecular FormulaC142H111Ir5N17-10
Molecular Weight3016.65 g/mol
Exact Mass3018.74
IUPAC Namepentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
SMILESCC(C)Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1
InChIInChI=1S/C20H19N2.2C16H11N2.2C15H10N3.5C12H10N.5Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-7,9-12,14-15H,13H2,1-2H3;1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;
InChIKeyRKOSUAJJZQTHKD-UHFFFAOYSA-N
XLogP32.32
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003016.65
LogP ≤ 532.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine 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

tetrakis(iridium);tetrakis(2-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine
CID 160547600
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
2,4-dimethyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;tetrakis(iridium);2-methyl-6-(2-phenyl-4-pyridinyl)pyridine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 158714424
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 158255265
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
4-(3,4-dimethylphenyl)-2-phenylpyridine;4-(3-ethyl-4-methylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-[3-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 157351088
tris(iridium);2-phenyl-4-[6-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(2,2,2-trideuterioethyl)-2-pyridinyl]pyridine;2-phenyl-4-[6-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]pyridine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 157301558
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)-2-pyridinyl]pyridine
CID 130326858
4,5-dimethyl-2-phenylpyridine;4-(4-ethylphenyl)-2-phenylpyridine;decakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;hexakis(4-phenyl-2-phenylpyridine);2-phenyl-4-(4-propan-2-ylphenyl)pyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;tetrakis(2-phenylpyridine)
CID 158178446
iridium(3+);2-(2-methylpropyl)-6-phenylpyridine;3-phenyl-1-phenylbenzene-6-ide
CID 140652480
iridium;2-phenylpyridine;5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58421120

Frequently Asked Questions

What is the IUPAC name of pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The IUPAC name of pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine (CID 159414504) is pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine.
What is the SMILES notation for pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The canonical SMILES for pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine is CC(C)Cc1cccc(-c2ccnc(-c3[c-]cccc3)c2)n1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccn2)ccn1.[c-]1ccccc1-c1cc(-c2cccnc2)ccn1.[c-]1ccccc1-c1cc(-c2cnccn2)ccn1.[c-]1ccccc1-c1cc(-c2ncccn2)ccn1.
What is the InChIKey of pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
The InChIKey is RKOSUAJJZQTHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2.2C16H11N2.2C15H10N3.5C12H10N.5Ir/c1-15(2)13-18-9-6-10-19(22-18)17-11-12-21-20(14-17)16-7-4-3-5-8-16;1-2-6-13(7-3-1)16-12-14(9-11-18-16)15-8-4-5-10-17-15;1-2-5-13(6-3-1)16-11-14(8-10-18-16)15-7-4-9-17-12-15;1-2-5-12(6-3-1)14-11-13(7-10-16-14)15-17-8-4-9-18-15;1-2-4-12(5-3-1)14-10-13(6-7-17-14)15-11-16-8-9-18-15;5*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-7,9-12,14-15H,13H2,1-2H3;1-6,8-12H;1-5,7-12H;1-5,7-11H;1-4,6-11H;5*2-5,7-9H,1H3;;;;;/q10*-1;;;;;.
What are the key properties of pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine?
pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine has a molecular weight of 3016.65 g/mol, XLogP of 32.32, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(iridium);pentakis(5-methyl-2-phenylpyridine);2-(2-methylpropyl)-6-(2-phenyl-4-pyridinyl)pyridine;2-(2-phenyl-4-pyridinyl)pyrazine;2-phenyl-4-pyridin-2-ylpyridine;2-phenyl-4-pyridin-3-ylpyridine;2-(2-phenyl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 159414504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).