1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)

C124H132F2Ir3N5O7SSi3-3 — CID 157233696

IUPAC1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)=C(O)C12CC3CC(CC(C3)C1)C2.CC(C)C(=O)C=C(O)C(C)C.CCC(=O)C=C(O)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3ccccc34)cc(-c3ccccn3)c2c1.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3sc3ccccc34)cc(-c3ccccn3)c2c1.Cc1[c-]c(-c2cc(-c3c(F)cccc3F)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H23N2OSi.C29H23N2SSi.C26H24F2NSi.C24H34O2.C9H16O2.C7H12O2.3Ir/c2*1-33(2,3)19-14-15-26-23(17-19)24(25-12-6-7-16-30-25)18-27(31-26)22-11-8-10-21-20-9-4-5-13-28(20)32-29(21)22;1-16-11-17(2)13-18(12-16)25-15-21(26-22(27)7-6-8-23(26)28)20-14-19(30(3,4)5)9-10-24(20)29-25;1-14(21(25)23-8-15-2-16(9-23)4-17(3-15)10-23)22(26)24-11-18-5-19(12-24)7-20(6-18)13-24;1-6(2)8(10)5-9(11)7(3)4;1-3-6(8)5-7(9)4-2;;;/h2*4-10,12-18H,1-3H3;6-12,14-15H,1-5H3;15-20,25H,2-13H2,1H3;5-7,10H,1-4H3;5,8H,3-4H2,1-2H3;;;/q3*-1;;;;;;
InChIKeyRLRCDIUXJITHFK-UHFFFAOYSA-N
MW2535.42 g/mol
LogP31.63
Rot. Bonds18

About 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)

1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) (PubChem CID 157233696) has the molecular formula C124H132F2Ir3N5O7SSi3-3 and a molecular weight of 2535.42 g/mol. Its IUPAC name is 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium).

Molecular Properties

Compound Name1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)
PubChem CID157233696
Molecular FormulaC124H132F2Ir3N5O7SSi3-3
Molecular Weight2535.42 g/mol
Exact Mass2535.80
IUPAC Name1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)=C(O)C12CC3CC(CC(C3)C1)C2.CC(C)C(=O)C=C(O)C(C)C.CCC(=O)C=C(O)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3ccccc34)cc(-c3ccccn3)c2c1.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3sc3ccccc34)cc(-c3ccccn3)c2c1.Cc1[c-]c(-c2cc(-c3c(F)cccc3F)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H23N2OSi.C29H23N2SSi.C26H24F2NSi.C24H34O2.C9H16O2.C7H12O2.3Ir/c2*1-33(2,3)19-14-15-26-23(17-19)24(25-12-6-7-16-30-25)18-27(31-26)22-11-8-10-21-20-9-4-5-13-28(20)32-29(21)22;1-16-11-17(2)13-18(12-16)25-15-21(26-22(27)7-6-8-23(26)28)20-14-19(30(3,4)5)9-10-24(20)29-25;1-14(21(25)23-8-15-2-16(9-23)4-17(3-15)10-23)22(26)24-11-18-5-19(12-24)7-20(6-18)13-24;1-6(2)8(10)5-9(11)7(3)4;1-3-6(8)5-7(9)4-2;;;/h2*4-10,12-18H,1-3H3;6-12,14-15H,1-5H3;15-20,25H,2-13H2,1H3;5-7,10H,1-4H3;5,8H,3-4H2,1-2H3;;;/q3*-1;;;;;;
InChIKeyRLRCDIUXJITHFK-UHFFFAOYSA-N
XLogP31.63
TPSA189.49 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002535.42
LogP ≤ 531.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) with MolForge

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Related Compounds

CID 157225149
CID 157225149
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 159039278
CID 159961606
CID 159961606
CID 160035174
CID 160035174
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 161209666
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163905677
[6-([1]Benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-4-yl]-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzothiophen-4-yl]-diphenylsilane
CID 140811632
2-dibenzofuran-4-yl-6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-1,5-dien-1-yl]phenyl]-5-methyl-6H-[1]benzothiolo[2,3-c]quinoline
CID 146489253
4-Dibenzofuran-4-yl-6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 146489592
2-Dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine
CID 157051472
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis([6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane);[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;decakis(iridium);2,3,4,5-tetradeuterio-6-phenylpyridine;2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine;bis(2-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 157063676

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)?
The IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) (CID 157233696) is 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium).
What is the SMILES notation for 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)?
The canonical SMILES for 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) is CC(C(=O)C12CC3CC(CC(C3)C1)C2)=C(O)C12CC3CC(CC(C3)C1)C2.CC(C)C(=O)C=C(O)C(C)C.CCC(=O)C=C(O)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3ccccc34)cc(-c3ccccn3)c2c1.C[Si](C)(C)c1ccc2nc(-c3[c-]ccc4c3sc3ccccc34)cc(-c3ccccn3)c2c1.Cc1[c-]c(-c2cc(-c3c(F)cccc3F)c3cc([Si](C)(C)C)ccc3n2)cc(C)c1.[Ir].[Ir].[Ir].
What is the InChIKey of 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)?
The InChIKey is RLRCDIUXJITHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N2OSi.C29H23N2SSi.C26H24F2NSi.C24H34O2.C9H16O2.C7H12O2.3Ir/c2*1-33(2,3)19-14-15-26-23(17-19)24(25-12-6-7-16-30-25)18-27(31-26)22-11-8-10-21-20-9-4-5-13-28(20)32-29(21)22;1-16-11-17(2)13-18(12-16)25-15-21(26-22(27)7-6-8-23(26)28)20-14-19(30(3,4)5)9-10-24(20)29-25;1-14(21(25)23-8-15-2-16(9-23)4-17(3-15)10-23)22(26)24-11-18-5-19(12-24)7-20(6-18)13-24;1-6(2)8(10)5-9(11)7(3)4;1-3-6(8)5-7(9)4-2;;;/h2*4-10,12-18H,1-3H3;6-12,14-15H,1-5H3;15-20,25H,2-13H2,1H3;5-7,10H,1-4H3;5,8H,3-4H2,1-2H3;;;/q3*-1;;;;;;.
What are the key properties of 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)?
1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) has a molecular weight of 2535.42 g/mol, XLogP of 31.63, 18 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium) is sourced from PubChem (CID 157233696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).