bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane)

C236H294F12Ir4N8O8Si8-8 — CID 158216467

About bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane)

bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane) (PubChem CID 158216467) has the molecular formula C236H294F12Ir4N8O8Si8-8 and a molecular weight of 4594.54 g/mol. Its IUPAC name is bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane).

Molecular Properties

• Compound Name: bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane)
• PubChem CID: 158216467
• Molecular Formula: C236H294F12Ir4N8O8Si8-8
• Molecular Weight: 4594.54 g/mol
• Exact Mass: 4593.95
• IUPAC Name: bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane)
• SMILES: 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.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.CCc1cc(C)[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)c1.CCc1cc(C)[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)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)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(C)C)c1.[2H]c1cc2cc([Si](C)(C)c3ccccc3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc([Si](C)(C)c3ccccc3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C25H24NSi.2C23H28NSi.2C22H26NSi.2C21H24NSi.4C13H21F3O2.C2H6.4Ir/c2*1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;2*1-16-12-18(14-19(13-16)23(2,3)4)22-21-9-8-20(25(5,6)7)15-17(21)10-11-24-22;2*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;2*1-6-16-11-15(2)12-18(13-16)21-20-8-7-19(23(3,4)5)14-17(20)9-10-22-21;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2;;;;/h2*5-15,17H,1-4H3;2*8-11,13-15H,1-7H3;2*7-11,13-15H,1-6H3;2*7-11,13-14H,6H2,1-5H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-2H3;;;;/q8*-1;;;;;;;;;/i2*13D
• InChIKey: RABNMZYKTPHXLP-TWHSLNPLSA-N
• XLogP: 62.25
• TPSA: 252.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 50
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4594.54
LogP ≤ 5	62.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane) (CID 158216467) is bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane).

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

The canonical SMILES for bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane) is 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.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.CCc1cc(C)[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)c1.CCc1cc(C)[c-]c(-c2nccc3cc([Si](C)(C)C)ccc23)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)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(C)C)c1.[2H]c1cc2cc([Si](C)(C)c3ccccc3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc([Si](C)(C)c3ccccc3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is RABNMZYKTPHXLP-TWHSLNPLSA-N. The full InChI is InChI=1S/2C25H24NSi.2C23H28NSi.2C22H26NSi.2C21H24NSi.4C13H21F3O2.C2H6.4Ir/c2*1-18-14-19(2)16-21(15-18)25-24-11-10-23(17-20(24)12-13-26-25)27(3,4)22-8-6-5-7-9-22;2*1-16-12-18(14-19(13-16)23(2,3)4)22-21-9-8-20(25(5,6)7)15-17(21)10-11-24-22;2*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;2*1-6-16-11-15(2)12-18(13-16)21-20-8-7-19(23(3,4)5)14-17(20)9-10-22-21;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2;;;;/h2*5-15,17H,1-4H3;2*8-11,13-15H,1-7H3;2*7-11,13-15H,1-6H3;2*7-11,13-14H,6H2,1-5H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-2H3;;;;/q8*-1;;;;;;;;;/i2*13D;;;;;;;;;;;;;;;.

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

bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane) has a molecular weight of 4594.54 g/mol, XLogP of 62.25, 50 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis([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]-dimethyl-phenylsilane);tetrakis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);ethane;bis([1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium);bis(trimethyl-[1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinolin-6-yl]silane) is sourced from PubChem (CID 158216467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).