1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane

C149H160FIr3N4O8SSi3-3 — CID 161263084

About 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane

1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane (PubChem CID 161263084) has the molecular formula C149H160FIr3N4O8SSi3-3 and a molecular weight of 2846.91 g/mol. Its IUPAC name is 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane.

Molecular Properties

• Compound Name: 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane
• PubChem CID: 161263084
• Molecular Formula: C149H160FIr3N4O8SSi3-3
• Molecular Weight: 2846.91 g/mol
• Exact Mass: 2847.02
• IUPAC Name: 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane
• SMILES: CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.CCC(=O)C=C(O)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]cc4sc5ccccc5c4c3)cc(-c3ccc(F)cc3)c2c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cccc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)c2oc3ccccc3c2c1.Cc1cccc2oc3n[c-]c(-c4cc(-c5ccccc5-c5ccccc5)c5cc([Si](C)(C)C)ccc5n4)cc3c12.O=C(C=C(O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C37H38NOSi.C36H29N2OSi.C30H23FNSSi.C23H32O2.C16H26O2.C7H12O2.3Ir/c1-22(2)26-13-11-14-27(23(3)4)36(26)30-21-34(38-33-17-16-25(20-29(30)33)40(6,7)8)32-19-24(5)18-31-28-12-9-10-15-35(28)39-37(31)32;1-23-11-10-16-34-35(23)31-19-25(22-37-36(31)39-34)33-21-29(30-20-26(40(2,3)4)17-18-32(30)38-33)28-15-9-8-14-27(28)24-12-6-5-7-13-24;1-34(2,3)22-13-14-27-25(17-22)24(19-8-11-21(31)12-9-19)18-28(32-27)20-10-15-30-26(16-20)23-6-4-5-7-29(23)33-30;24-20(22-8-14-1-15(9-22)3-16(2-14)10-22)7-21(25)23-11-17-4-18(12-23)6-19(5-17)13-23;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;1-3-6(8)5-7(9)4-2;;;/h9-18,20-23H,1-8H3;5-21H,1-4H3;4-9,11-18H,1-3H3;7,14-19,24H,1-6,8-13H2;13-14,17H,2-11H2,1H3;5,8H,3-4H2,1-2H3;;;/q3*-1
• InChIKey: CBIWDVUCICIUPZ-UHFFFAOYSA-N
• XLogP: 39.76
• TPSA: 189.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2846.91
LogP ≤ 5	39.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane?

The IUPAC name of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane (CID 161263084) is 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane.

What is the SMILES notation for 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane?

The canonical SMILES for 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane is CC(C(=O)C1CCCCC1)=C(O)C1CCCCC1.CCC(=O)C=C(O)CC.C[Si](C)(C)c1ccc2nc(-c3[c-]cc4sc5ccccc5c4c3)cc(-c3ccc(F)cc3)c2c1.Cc1[c-]c(-c2cc(-c3c(C(C)C)cccc3C(C)C)c3cc([Si](C)(C)C)ccc3n2)c2oc3ccccc3c2c1.Cc1cccc2oc3n[c-]c(-c4cc(-c5ccccc5-c5ccccc5)c5cc([Si](C)(C)C)ccc5n4)cc3c12.O=C(C=C(O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.[Ir].[Ir].[Ir].

What is the InChIKey of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane?

The InChIKey is CBIWDVUCICIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38NOSi.C36H29N2OSi.C30H23FNSSi.C23H32O2.C16H26O2.C7H12O2.3Ir/c1-22(2)26-13-11-14-27(23(3)4)36(26)30-21-34(38-33-17-16-25(20-29(30)33)40(6,7)8)32-19-24(5)18-31-28-12-9-10-15-35(28)39-37(31)32;1-23-11-10-16-34-35(23)31-19-25(22-37-36(31)39-34)33-21-29(30-20-26(40(2,3)4)17-18-32(30)38-33)28-15-9-8-14-27(28)24-12-6-5-7-13-24;1-34(2,3)22-13-14-27-25(17-22)24(19-8-11-21(31)12-9-19)18-28(32-27)20-10-15-30-26(16-20)23-6-4-5-7-29(23)33-30;24-20(22-8-14-1-15(9-22)3-16(2-14)10-22)7-21(25)23-11-17-4-18(12-23)6-19(5-17)13-23;1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14;1-3-6(8)5-7(9)4-2;;;/h9-18,20-23H,1-8H3;5-21H,1-4H3;4-9,11-18H,1-3H3;7,14-19,24H,1-6,8-13H2;13-14,17H,2-11H2,1H3;5,8H,3-4H2,1-2H3;;;/q3*-1;;;;;;.

What are the key properties of 1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane?

1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane has a molecular weight of 2846.91 g/mol, XLogP of 39.76, 21 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-hydroxyprop-2-en-1-one;[2-(3H-dibenzothiophen-3-id-2-yl)-4-(4-fluorophenyl)quinolin-6-yl]-trimethylsilane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;[4-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]-trimethylsilane;5-hydroxyhept-4-en-3-one;tris(iridium);trimethyl-[2-(5-methyl-2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-phenylphenyl)quinolin-6-yl]silane is sourced from PubChem (CID 161263084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).