4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C149H192F4Ir4N8O8S4-4 — CID 158634613

IUPAC4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C4CCCC4)csc23)[c-]c2ccccc12.CC(C)c1c(F)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc12.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.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C(C)C.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1CCCC(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H24F3N2S.C25H25N2S.C24H25N2S.C23H22FN2S.4C13H24O2.4Ir/c1-15-18(10-7-11-25(26,27)28)22-23(31-15)21(29-14-30-22)17-12-16-8-5-6-9-19(16)20(13-17)24(2,3)4;1-25(2,3)21-13-18(12-17-10-6-7-11-19(17)21)22-24-23(27-15-26-22)20(14-28-24)16-8-4-5-9-16;1-14(2)20-15(3)27-23-21(25-13-26-22(20)23)17-11-16-9-7-8-10-18(16)19(12-17)24(4,5)6;1-13(2)18-20-21(27-22(18)24)19(25-12-26-20)15-10-14-8-6-7-9-16(14)17(11-15)23(3,4)5;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,13-14H,7,10-11H2,1-4H3;6-7,10-11,13-16H,4-5,8-9H2,1-3H3;7-10,12-14H,1-6H3;6-9,11-13H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyWTFHQSVZIKDUOD-UHFFFAOYSA-N
MW3196.35 g/mol
LogP44.45
Rot. Bonds38

About 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 158634613) has the molecular formula C149H192F4Ir4N8O8S4-4 and a molecular weight of 3196.35 g/mol. Its IUPAC name is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID158634613
Molecular FormulaC149H192F4Ir4N8O8S4-4
Molecular Weight3196.35 g/mol
Exact Mass3197.22
IUPAC Name4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2ncnc3c(C4CCCC4)csc23)[c-]c2ccccc12.CC(C)c1c(F)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc12.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.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C(C)C.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1CCCC(F)(F)F.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H24F3N2S.C25H25N2S.C24H25N2S.C23H22FN2S.4C13H24O2.4Ir/c1-15-18(10-7-11-25(26,27)28)22-23(31-15)21(29-14-30-22)17-12-16-8-5-6-9-19(16)20(13-17)24(2,3)4;1-25(2,3)21-13-18(12-17-10-6-7-11-19(17)21)22-24-23(27-15-26-22)20(14-28-24)16-8-4-5-9-16;1-14(2)20-15(3)27-23-21(25-13-26-22(20)23)17-11-16-9-7-8-10-18(16)19(12-17)24(4,5)6;1-13(2)18-20-21(27-22(18)24)19(25-12-26-20)15-10-14-8-6-7-9-16(14)17(11-15)23(3,4)5;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,13-14H,7,10-11H2,1-4H3;6-7,10-11,13-16H,4-5,8-9H2,1-3H3;7-10,12-14H,1-6H3;6-9,11-13H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;
InChIKeyWTFHQSVZIKDUOD-UHFFFAOYSA-N
XLogP44.45
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003196.35
LogP ≤ 544.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) with MolForge

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Launch Full Analysis

Related Compounds

4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine;iridium;(Z)-1,1,1-trifluoro-2-hydroxy-6-methylhept-2-en-4-one
CID 153428529
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine;iridium;(Z)-6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 153428584
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;iridium;(Z)-6,6,6-trifluoro-5-hydroxy-2-methylhex-4-en-3-one
CID 153484539
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 153484547
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 153484561
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;iridium;(Z)-1,1,1-trifluoro-4-hydroxy-5-methylhept-3-en-2-one
CID 153484563
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)thieno[3,2-d]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 153484595
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine;iridium;(Z)-1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one
CID 153484608
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;iridium;(Z)-1,1,1-trifluoro-4-hydroxy-5-methylhex-3-en-2-one
CID 153484615
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-(3,3,3-trifluoropropyl)thieno[3,2-d]pyrimidine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 153484621
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;(Z)-1,1,1,7,7,7-hexafluoro-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 156621943
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;(Z)-1,1,1,6,6,6-hexafluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one;iridium
CID 156621950

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 158634613) is 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2ncnc3c(C4CCCC4)csc23)[c-]c2ccccc12.CC(C)c1c(F)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc12.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.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C(C)C.Cc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1CCCC(F)(F)F.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is WTFHQSVZIKDUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N2S.C25H25N2S.C24H25N2S.C23H22FN2S.4C13H24O2.4Ir/c1-15-18(10-7-11-25(26,27)28)22-23(31-15)21(29-14-30-22)17-12-16-8-5-6-9-19(16)20(13-17)24(2,3)4;1-25(2,3)21-13-18(12-17-10-6-7-11-19(17)21)22-24-23(27-15-26-22)20(14-28-24)16-8-4-5-9-16;1-14(2)20-15(3)27-23-21(25-13-26-22(20)23)17-11-16-9-7-8-10-18(16)19(12-17)24(4,5)6;1-13(2)18-20-21(27-22(18)24)19(25-12-26-20)15-10-14-8-6-7-9-16(14)17(11-15)23(3,4)5;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-6,8-9,13-14H,7,10-11H2,1-4H3;6-7,10-11,13-16H,4-5,8-9H2,1-3H3;7-10,12-14H,1-6H3;6-9,11-13H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3196.35 g/mol, XLogP of 44.45, 38 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-cyclopentylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-fluoro-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-methyl-7-(4,4,4-trifluorobutyl)thieno[3,2-d]pyrimidine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 158634613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).