[1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane

C216H274F6Ir4N8O8Si6-8 — CID 157244891

About [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane

[1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane (PubChem CID 157244891) has the molecular formula C216H274F6Ir4N8O8Si6-8 and a molecular weight of 4164.00 g/mol. Its IUPAC name is [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane.

Molecular Properties

• Compound Name: [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane
• PubChem CID: 157244891
• Molecular Formula: C216H274F6Ir4N8O8Si6-8
• Molecular Weight: 4164.00 g/mol
• Exact Mass: 4163.85
• IUPAC Name: [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane
• SMILES: 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(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2nccc3cc(C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C(C)C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H28NSi.C22H26NSi.4C20H22NSi.C18H16N.C17H14N.2C13H21F3O2.2C13H24O2.2C2H6.4Ir/c1-16-12-18(14-19(13-16)23(2,3)4)22-21-9-8-20(25(5,6)7)15-17(21)10-11-24-22;1-15(2)18-11-16(3)12-19(13-18)22-21-8-7-20(24(4,5)6)14-17(21)9-10-23-22;4*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-2;;;;/h8-11,13-15H,1-7H3;7-11,13-15H,1-6H3;4*6-11,13H,1-5H3;4-10H,1-3H3;3-10H,1-2H3;2*7,9-10,18H,4-6,8H2,1-3H3;2*9-11,14H,5-8H2,1-4H3;2*1-2H3;;;;/q8*-1;;;;;;;;;;/i;;2*9D
• InChIKey: RTWFYIBVZRWSQL-ARVQCTRVSA-N
• XLogP: 58.54
• TPSA: 252.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 43
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4164.00
LogP ≤ 5	58.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane?

The IUPAC name of [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane (CID 157244891) is [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane.

What is the SMILES notation for [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane?

The canonical SMILES for [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane is 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(F)(F)F.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2nccc3cc(C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C(C)C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3ccccc23)cc(C)c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane?

The InChIKey is RTWFYIBVZRWSQL-ARVQCTRVSA-N. The full InChI is InChI=1S/C23H28NSi.C22H26NSi.4C20H22NSi.C18H16N.C17H14N.2C13H21F3O2.2C13H24O2.2C2H6.4Ir/c1-16-12-18(14-19(13-16)23(2,3)4)22-21-9-8-20(25(5,6)7)15-17(21)10-11-24-22;1-15(2)18-11-16(3)12-19(13-18)22-21-8-7-20(24(4,5)6)14-17(21)9-10-23-22;4*1-14-10-15(2)12-17(11-14)20-19-7-6-18(22(3,4)5)13-16(19)8-9-21-20;1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;1-12-9-13(2)11-15(10-12)17-16-6-4-3-5-14(16)7-8-18-17;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;2*1-2;;;;/h8-11,13-15H,1-7H3;7-11,13-15H,1-6H3;4*6-11,13H,1-5H3;4-10H,1-3H3;3-10H,1-2H3;2*7,9-10,18H,4-6,8H2,1-3H3;2*9-11,14H,5-8H2,1-4H3;2*1-2H3;;;;/q8*-1;;;;;;;;;;/i;;2*9D;;;;;;;;;;;;;;.

What are the key properties of [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane?

[1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane has a molecular weight of 4164.00 g/mol, XLogP of 58.54, 43 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;bis([3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;ethane;tetrakis(iridium);trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane is sourced from PubChem (CID 157244891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).