bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)

C225H287F3Ir4N8O8Si8-8 — CID 158299089

IUPACbis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)
SMILESCCC(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(F)(F)F.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C(C)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)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(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H24NSi.2C23H28NSi.C22H26NSi.4C20H22NSi.C13H21F3O2.3C13H24O2.4Ir/c1-18-14-19(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;1-15(2)24(5,6)20-7-8-21-18(14-20)9-10-23-22(21)19-12-16(3)11-17(4)13-19;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;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-15,17H,1-4H3;2*8-11,13-15H,1-7H3;7-12,14-15H,1-6H3;4*6-11,13H,1-5H3;7,9-10,18H,4-6,8H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;;/q8*-1;;;;;;;;/i;;;;9D;;;;;;;;;;;
InChIKeyCBLSATHNEMWCGH-ZBDQWTTDSA-N
MW4283.38 g/mol
LogP57.96
Rot. Bonds46

About bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)

bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) (PubChem CID 158299089) has the molecular formula C225H287F3Ir4N8O8Si8-8 and a molecular weight of 4283.38 g/mol. Its IUPAC name is bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium).

Molecular Properties

Compound Namebis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)
PubChem CID158299089
Molecular FormulaC225H287F3Ir4N8O8Si8-8
Molecular Weight4283.38 g/mol
Exact Mass4282.90
IUPAC Namebis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)
SMILESCCC(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(F)(F)F.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C(C)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)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(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[2H]c1cc2cc([Si](C)(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H24NSi.2C23H28NSi.C22H26NSi.4C20H22NSi.C13H21F3O2.3C13H24O2.4Ir/c1-18-14-19(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;1-15(2)24(5,6)20-7-8-21-18(14-20)9-10-23-22(21)19-12-16(3)11-17(4)13-19;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;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-15,17H,1-4H3;2*8-11,13-15H,1-7H3;7-12,14-15H,1-6H3;4*6-11,13H,1-5H3;7,9-10,18H,4-6,8H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;;/q8*-1;;;;;;;;/i;;;;9D;;;;;;;;;;;
InChIKeyCBLSATHNEMWCGH-ZBDQWTTDSA-N
XLogP57.96
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds46
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004283.38
LogP ≤ 557.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)?
The IUPAC name of bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) (CID 158299089) is bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium).
What is the SMILES notation for bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)?
The canonical SMILES for bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) is 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(F)(F)F.Cc1[c-]c(-c2nccc3cc([Si](C)(C)C(C)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)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(-c2nccc3cc([Si](C)(C)C)ccc23)cc(C)c1.Cc1[c-]c(-c2nccc3cc([Si](C)(C)c4ccccc4)ccc23)cc(C)c1.[2H]c1cc2cc([Si](C)(C)C)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);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)?
The InChIKey is CBLSATHNEMWCGH-ZBDQWTTDSA-N. The full InChI is InChI=1S/C25H24NSi.2C23H28NSi.C22H26NSi.4C20H22NSi.C13H21F3O2.3C13H24O2.4Ir/c1-18-14-19(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;1-15(2)24(5,6)20-7-8-21-18(14-20)9-10-23-22(21)19-12-16(3)11-17(4)13-19;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;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-15,17H,1-4H3;2*8-11,13-15H,1-7H3;7-12,14-15H,1-6H3;4*6-11,13H,1-5H3;7,9-10,18H,4-6,8H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;;/q8*-1;;;;;;;;/i;;;;9D;;;;;;;;;;;.
What are the key properties of bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium)?
bis([1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) has a molecular weight of 4283.38 g/mol, XLogP of 57.96, 46 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);[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-phenylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;tris([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);tetrakis(iridium) is sourced from PubChem (CID 158299089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).