[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)

C222H274F12Ir4N8O8Si8-8 — CID 159203507

IUPAC[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)
SMILESCC.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.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)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.C22H26NSi.C21H24NSi.5C20H22NSi.4C13H21F3O2.C2H6.4Ir/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;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;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;5*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;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2;;;;/h5-15,17H,1-4H3;7-12,14-15H,1-6H3;7-11,13-14H,6H2,1-5H3;5*6-11,13H,1-5H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-2H3;;;;/q8*-1;;;;;;;;;/i;;;9D;;;;;;;;;;;;;
InChIKeyBBTUAUXGGJUDLN-CXHWURDPSA-N
MW4405.22 g/mol
LogP58.89
Rot. Bonds47

About [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)

[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) (PubChem CID 159203507) has the molecular formula C222H274F12Ir4N8O8Si8-8 and a molecular weight of 4405.22 g/mol. Its IUPAC name is [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium).

Molecular Properties

Compound Name[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)
PubChem CID159203507
Molecular FormulaC222H274F12Ir4N8O8Si8-8
Molecular Weight4405.22 g/mol
Exact Mass4404.79
IUPAC Name[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)
SMILESCC.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.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)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.C22H26NSi.C21H24NSi.5C20H22NSi.4C13H21F3O2.C2H6.4Ir/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;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;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;5*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;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2;;;;/h5-15,17H,1-4H3;7-12,14-15H,1-6H3;7-11,13-14H,6H2,1-5H3;5*6-11,13H,1-5H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-2H3;;;;/q8*-1;;;;;;;;;/i;;;9D;;;;;;;;;;;;;
InChIKeyBBTUAUXGGJUDLN-CXHWURDPSA-N
XLogP58.89
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds47
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004405.22
LogP ≤ 558.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)?
The IUPAC name of [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) (CID 159203507) is [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium).
What is the SMILES notation for [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)?
The canonical SMILES for [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) 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.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)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 [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)?
The InChIKey is BBTUAUXGGJUDLN-CXHWURDPSA-N. The full InChI is InChI=1S/C25H24NSi.C22H26NSi.C21H24NSi.5C20H22NSi.4C13H21F3O2.C2H6.4Ir/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;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;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;5*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;4*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;1-2;;;;/h5-15,17H,1-4H3;7-12,14-15H,1-6H3;7-11,13-14H,6H2,1-5H3;5*6-11,13H,1-5H3;4*7,9-10,18H,4-6,8H2,1-3H3;1-2H3;;;;/q8*-1;;;;;;;;;/i;;;9D;;;;;;;;;;;;;.
What are the key properties of [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium)?
[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) has a molecular weight of 4405.22 g/mol, XLogP of 58.89, 47 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(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;tetrakis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);ethane;[1-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tetrakis(iridium) is sourced from PubChem (CID 159203507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).