6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)

C265H319F6Ir6N15O16S5-6 — CID 159625514

IUPAC6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
SMILESCC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc2c1-c1ccc2oc(CC(C)(C)C(F)(F)F)nc2c1.CC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1-c1ccc2oc(CC(C)(C)C)nc2c1.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.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)cc1-c1ccc2nc(CC(C)(C)C(F)(F)F)sc2c1.Cc1ncc(-c2c(C)sc3c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)s1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H34F3N2OS.C35H36N3OS.C32H30F3N2S.C29H26N3O.C29H26N3S.C26H23N2OS.6C13H24O2.6Ir/c1-20(2)32-30(22-12-13-28-27(18-22)41-29(42-28)19-35(6,7)36(37,38)39)25-14-15-40-31(33(25)43-32)23-16-21-10-8-9-11-24(21)26(17-23)34(3,4)5;1-20(2)32-29(22-13-14-27-26(17-22)38-28(39-27)18-34(3,4)5)31-33(40-32)30(36-19-37-31)23-15-21-11-9-10-12-24(21)25(16-23)35(6,7)8;1-19-18-36-27(22-13-20-9-7-8-10-23(20)25(14-22)30(2,3)4)16-24(19)21-11-12-26-28(15-21)38-29(37-26)17-31(5,6)32(33,34)35;2*1-18-16-31-28(23-14-22-8-6-7-9-24(22)25(15-23)29(3,4)5)32-27(18)21-12-10-20(11-13-21)26-17-30-19(2)33-26;1-15-23(22-14-28-16(2)29-22)20-10-11-27-24(25(20)30-15)18-12-17-8-6-7-9-19(17)21(13-18)26(3,4)5;6*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;/h8-15,17-18,20H,19H2,1-7H3;9-14,16-17,19-20H,18H2,1-8H3;7-12,14-16,18H,17H2,1-6H3;2*6-13,15-17H,1-5H3;6-11,13-14H,1-5H3;6*9-11,14H,5-8H2,1-4H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeySUXWZZPTKVSHDO-UHFFFAOYSA-N
MW5398.18 g/mol
LogP76.95
Rot. Bonds63

About 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)

6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) (PubChem CID 159625514) has the molecular formula C265H319F6Ir6N15O16S5-6 and a molecular weight of 5398.18 g/mol. Its IUPAC name is 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium).

Molecular Properties

Compound Name6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
PubChem CID159625514
Molecular FormulaC265H319F6Ir6N15O16S5-6
Molecular Weight5398.18 g/mol
Exact Mass5399.09
IUPAC Name6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
SMILESCC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc2c1-c1ccc2oc(CC(C)(C)C(F)(F)F)nc2c1.CC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1-c1ccc2oc(CC(C)(C)C)nc2c1.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.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)cc1-c1ccc2nc(CC(C)(C)C(F)(F)F)sc2c1.Cc1ncc(-c2c(C)sc3c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)s1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H34F3N2OS.C35H36N3OS.C32H30F3N2S.C29H26N3O.C29H26N3S.C26H23N2OS.6C13H24O2.6Ir/c1-20(2)32-30(22-12-13-28-27(18-22)41-29(42-28)19-35(6,7)36(37,38)39)25-14-15-40-31(33(25)43-32)23-16-21-10-8-9-11-24(21)26(17-23)34(3,4)5;1-20(2)32-29(22-13-14-27-26(17-22)38-28(39-27)18-34(3,4)5)31-33(40-32)30(36-19-37-31)23-15-21-11-9-10-12-24(21)25(16-23)35(6,7)8;1-19-18-36-27(22-13-20-9-7-8-10-23(20)25(14-22)30(2,3)4)16-24(19)21-11-12-26-28(15-21)38-29(37-26)17-31(5,6)32(33,34)35;2*1-18-16-31-28(23-14-22-8-6-7-9-24(22)25(15-23)29(3,4)5)32-27(18)21-12-10-20(11-13-21)26-17-30-19(2)33-26;1-15-23(22-14-28-16(2)29-22)20-10-11-27-24(25(20)30-15)18-12-17-8-6-7-9-19(17)21(13-18)26(3,4)5;6*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;/h8-15,17-18,20H,19H2,1-7H3;9-14,16-17,19-20H,18H2,1-8H3;7-12,14-16,18H,17H2,1-6H3;2*6-13,15-17H,1-5H3;6-11,13-14H,1-5H3;6*9-11,14H,5-8H2,1-4H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeySUXWZZPTKVSHDO-UHFFFAOYSA-N
XLogP76.95
TPSA469.71 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds63
Heavy Atoms313
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005398.18
LogP ≤ 576.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)?
The IUPAC name of 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) (CID 159625514) is 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium).
What is the SMILES notation for 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)?
The canonical SMILES for 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) is CC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc2c1-c1ccc2oc(CC(C)(C)C(F)(F)F)nc2c1.CC(C)c1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1-c1ccc2oc(CC(C)(C)C)nc2c1.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.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)cc1-c1ccc2nc(CC(C)(C)C(F)(F)F)sc2c1.Cc1ncc(-c2c(C)sc3c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)nccc23)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)o1.Cc1ncc(-c2ccc(-c3nc(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncc3C)cc2)s1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)?
The InChIKey is SUXWZZPTKVSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N2OS.C35H36N3OS.C32H30F3N2S.C29H26N3O.C29H26N3S.C26H23N2OS.6C13H24O2.6Ir/c1-20(2)32-30(22-12-13-28-27(18-22)41-29(42-28)19-35(6,7)36(37,38)39)25-14-15-40-31(33(25)43-32)23-16-21-10-8-9-11-24(21)26(17-23)34(3,4)5;1-20(2)32-29(22-13-14-27-26(17-22)38-28(39-27)18-34(3,4)5)31-33(40-32)30(36-19-37-31)23-15-21-11-9-10-12-24(21)25(16-23)35(6,7)8;1-19-18-36-27(22-13-20-9-7-8-10-23(20)25(14-22)30(2,3)4)16-24(19)21-11-12-26-28(15-21)38-29(37-26)17-31(5,6)32(33,34)35;2*1-18-16-31-28(23-14-22-8-6-7-9-24(22)25(15-23)29(3,4)5)32-27(18)21-12-10-20(11-13-21)26-17-30-19(2)33-26;1-15-23(22-14-28-16(2)29-22)20-10-11-27-24(25(20)30-15)18-12-17-8-6-7-9-19(17)21(13-18)26(3,4)5;6*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;;/h8-15,17-18,20H,19H2,1-7H3;9-14,16-17,19-20H,18H2,1-8H3;7-12,14-16,18H,17H2,1-6H3;2*6-13,15-17H,1-5H3;6-11,13-14H,1-5H3;6*9-11,14H,5-8H2,1-4H3;;;;;;/q6*-1;;;;;;;;;;;;.
What are the key properties of 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)?
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) has a molecular weight of 5398.18 g/mol, XLogP of 76.95, 63 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium) is sourced from PubChem (CID 159625514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).