tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)

C141H170Ir4N4O9S3-4 — CID 163630590

IUPACtetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(C)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)oc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H20NS.C22H18NO.2C22H18NS.4C13H24O2.4Ir/c1-14-5-7-18(8-6-14)22-17(4)20-9-10-24-21(23(20)25-22)19-12-15(2)11-16(3)13-19;3*1-14-11-15(2)13-18(12-14)20-22-19(9-10-23-20)16(3)21(24-22)17-7-5-4-6-8-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12H,1-4H3;3*4-12H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyOAMGAUGTOGNGQM-UHFFFAOYSA-N
MW2930.00 g/mol
LogP40.73
Rot. Bonds36

About tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) (PubChem CID 163630590) has the molecular formula C141H170Ir4N4O9S3-4 and a molecular weight of 2930.00 g/mol. Its IUPAC name is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium).

Molecular Properties

Compound Nametetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)
PubChem CID163630590
Molecular FormulaC141H170Ir4N4O9S3-4
Molecular Weight2930.00 g/mol
Exact Mass2931.07
IUPAC Nametetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(C)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)oc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H20NS.C22H18NO.2C22H18NS.4C13H24O2.4Ir/c1-14-5-7-18(8-6-14)22-17(4)20-9-10-24-21(23(20)25-22)19-12-15(2)11-16(3)13-19;3*1-14-11-15(2)13-18(12-14)20-22-19(9-10-23-20)16(3)21(24-22)17-7-5-4-6-8-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12H,1-4H3;3*4-12H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyOAMGAUGTOGNGQM-UHFFFAOYSA-N
XLogP40.73
TPSA213.90 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002930.00
LogP ≤ 540.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;iridium
CID 164705043
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-7-methyl-6-(4-phenylphenyl)thieno[3,2-d]pyrimidine;iridium
CID 164703237
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,4-dimethyl-5-phenylthiophen-2-yl)-7-methylthieno[3,2-d]pyrimidine;iridium
CID 164703078
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;iridium
CID 155626200
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-(4-tert-butylphenyl)-3-methylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164703159
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylsilane;iridium
CID 166018723
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;6-(3,5-dimethylbenzene-6-id-1-yl)-10-(2-methylpropyl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;iridium
CID 153428522
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-yl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine);pentakis(iridium)
CID 163452672
7-(4-tert-butyl-5,7-dimethyl-1H-naphthalen-1-id-2-yl)-2-[4-(2-fluoro-2-methylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171746697
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium)
CID 163724710
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-8-fluoro-7-phenyl-[1]benzoselenolo[2,3-c]pyridine;iridium
CID 168736858
4-deuterio-7-(3,5-dimethylbenzene-6-id-1-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trifluoromethyl)thieno[2,3-c]pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164705012

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)?
The IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) (CID 163630590) is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium).
What is the SMILES notation for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)?
The canonical SMILES for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(C)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)oc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccccc4)sc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)?
The InChIKey is OAMGAUGTOGNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NS.C22H18NO.2C22H18NS.4C13H24O2.4Ir/c1-14-5-7-18(8-6-14)22-17(4)20-9-10-24-21(23(20)25-22)19-12-15(2)11-16(3)13-19;3*1-14-11-15(2)13-18(12-14)20-22-19(9-10-23-20)16(3)21(24-22)17-7-5-4-6-8-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12H,1-4H3;3*4-12H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium)?
tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) has a molecular weight of 2930.00 g/mol, XLogP of 40.73, 36 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-methylphenyl)thieno[2,3-c]pyridine;7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylthieno[2,3-c]pyridine);tetrakis(iridium) is sourced from PubChem (CID 163630590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).