tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine

C127H125Ir4N6S-5 — CID 161359423

IUPACtetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine
SMILESCc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(CCCCCCCc2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(CCCCCCCc2ccccc2)cc1-c1nccn1-c1ccccc1.[c-]1ccc(CCCCCCc2ccccc2)cc1-c1ccc(-c2ccccc2)cn1.[c-]1sc(CCCCCCc2ccccc2)cc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C29H28N.C28H29N2.C27H26NS.C25H28N.C18H14N.4Ir/c1(5-12-24-13-7-3-8-14-24)2-6-15-25-16-11-19-27(22-25)29-21-20-28(23-30-29)26-17-9-4-10-18-26;1(2-6-13-24-14-8-4-9-15-24)3-7-16-25-17-12-18-26(23-25)28-29-21-22-30(28)27-19-10-5-11-20-27;1(5-11-22-12-6-3-7-13-22)2-10-16-26-19-25(21-29-26)27-20-24(17-18-28-27)23-14-8-4-9-15-23;1-21-15-17-22(18-16-21)10-5-3-2-4-6-11-23-12-9-13-24(20-23)25-14-7-8-19-26-25;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;;;;/h3-4,7-11,13-14,16-18,20-23H,1-2,5-6,12,15H2;4-5,8-12,14-15,17,19-23H,1-3,6-7,13,16H2;3-4,6-9,12-15,17-20H,1-2,5,10-11,16H2;7-9,12,14-20H,2-6,10-11H2,1H3;2-8,10-13H,1H3;;;;/q5*-1;;;;
InChIKeyMMVJIAMVYDIPFO-UHFFFAOYSA-N
MW2536.37 g/mol
LogP33.37
Rot. Bonds39

About tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine

tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine (PubChem CID 161359423) has the molecular formula C127H125Ir4N6S-5 and a molecular weight of 2536.37 g/mol. Its IUPAC name is tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine.

Molecular Properties

Compound Nametetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine
PubChem CID161359423
Molecular FormulaC127H125Ir4N6S-5
Molecular Weight2536.37 g/mol
Exact Mass2537.82
IUPAC Nametetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine
SMILESCc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(CCCCCCCc2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(CCCCCCCc2ccccc2)cc1-c1nccn1-c1ccccc1.[c-]1ccc(CCCCCCc2ccccc2)cc1-c1ccc(-c2ccccc2)cn1.[c-]1sc(CCCCCCc2ccccc2)cc1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C29H28N.C28H29N2.C27H26NS.C25H28N.C18H14N.4Ir/c1(5-12-24-13-7-3-8-14-24)2-6-15-25-16-11-19-27(22-25)29-21-20-28(23-30-29)26-17-9-4-10-18-26;1(2-6-13-24-14-8-4-9-15-24)3-7-16-25-17-12-18-26(23-25)28-29-21-22-30(28)27-19-10-5-11-20-27;1(5-11-22-12-6-3-7-13-22)2-10-16-26-19-25(21-29-26)27-20-24(17-18-28-27)23-14-8-4-9-15-23;1-21-15-17-22(18-16-21)10-5-3-2-4-6-11-23-12-9-13-24(20-23)25-14-7-8-19-26-25;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;;;;/h3-4,7-11,13-14,16-18,20-23H,1-2,5-6,12,15H2;4-5,8-12,14-15,17,19-23H,1-3,6-7,13,16H2;3-4,6-9,12-15,17-20H,1-2,5,10-11,16H2;7-9,12,14-20H,2-6,10-11H2,1H3;2-8,10-13H,1H3;;;;/q5*-1;;;;
InChIKeyMMVJIAMVYDIPFO-UHFFFAOYSA-N
XLogP33.37
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds39
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002536.37
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine with MolForge

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Related Compounds

tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
CID 140591636
2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 157424929
2-[3-[2-(2,6-dimethylphenyl)-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 155602169
2,6-dimethyl-4-[4-[3-(6-phenylhexyl)phenyl]-2-pyridinyl]-3H-pyridin-3-ide;tetrakis(iridium);bis(5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-[3-[2-(4-phenylcyclohexyl)phenyl]benzene-6-id-1-yl]pyridine;2-(3H-naphthalen-3-id-2-yl)-5-[3-(8-phenyloctyl)phenyl]pyridine;2-(4-phenylbenzene-6-id-1-yl)-5-(5-phenylpentyl)pyridine
CID 159007641
iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
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
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
1-(2,6-dimethylphenyl)-5,7-diphenyl-3-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]isoquinoline;bis(4-(2,6-dimethylphenyl)-6-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinazoline);tris(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine
CID 161277936

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine?
The IUPAC name of tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine (CID 161359423) is tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine.
What is the SMILES notation for tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine?
The canonical SMILES for tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine is Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(CCCCCCCc2cc[c-]c(-c3ccccn3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(CCCCCCCc2ccccc2)cc1-c1nccn1-c1ccccc1.[c-]1ccc(CCCCCCc2ccccc2)cc1-c1ccc(-c2ccccc2)cn1.[c-]1sc(CCCCCCc2ccccc2)cc1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine?
The InChIKey is MMVJIAMVYDIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N.C28H29N2.C27H26NS.C25H28N.C18H14N.4Ir/c1(5-12-24-13-7-3-8-14-24)2-6-15-25-16-11-19-27(22-25)29-21-20-28(23-30-29)26-17-9-4-10-18-26;1(2-6-13-24-14-8-4-9-15-24)3-7-16-25-17-12-18-26(23-25)28-29-21-22-30(28)27-19-10-5-11-20-27;1(5-11-22-12-6-3-7-13-22)2-10-16-26-19-25(21-29-26)27-20-24(17-18-28-27)23-14-8-4-9-15-23;1-21-15-17-22(18-16-21)10-5-3-2-4-6-11-23-12-9-13-24(20-23)25-14-7-8-19-26-25;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;;;;/h3-4,7-11,13-14,16-18,20-23H,1-2,5-6,12,15H2;4-5,8-12,14-15,17,19-23H,1-3,6-7,13,16H2;3-4,6-9,12-15,17-20H,1-2,5,10-11,16H2;7-9,12,14-20H,2-6,10-11H2,1H3;2-8,10-13H,1H3;;;;/q5*-1;;;;.
What are the key properties of tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine?
tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine has a molecular weight of 2536.37 g/mol, XLogP of 33.37, 39 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-[7-(4-methylphenyl)heptyl]benzene-6-id-1-yl]pyridine;1-phenyl-2-[3-(7-phenylheptyl)benzene-6-id-1-yl]imidazole;5-phenyl-2-[3-(6-phenylhexyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-[5-(6-phenylhexyl)-2H-thiophen-2-id-3-yl]pyridine is sourced from PubChem (CID 161359423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).