bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)

C272H322F6Ir5N10O10Si-10 — CID 158676206

IUPACbis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(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.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C([2H])([2H])[2H])cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C(C)C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C([2H])([2H])[2H])c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)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].[Ir]
InChIInChI=1S/C24H26N.3C22H22N.C20H22NSi.2C20H20N.3C18H16N.3C14H26O2.2C13H21F3O2.5Ir/c1-16(2)21-12-17(3)13-22(15-21)24-23-9-8-19(18-6-4-5-7-18)14-20(23)10-11-25-24;3*1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;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;2*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;3*1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;3*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;;/h8-12,14-16,18H,4-7H2,1-3H3;3*7-12,14,17H,3-6H2,1-2H3;6-11,13H,1-5H3;2*5-10,12-13H,1-4H3;3*4-10H,1-3H3;3*10-11,16H,6-9H2,1-5H3;2*7,9-10,18H,4-6,8H2,1-3H3;;;;;/q10*-1;;;;;;;;;;/i11D;1D3,10D;2*10D;9D;4D3,8D;8D;3*7D;;;;;;;;;;
InChIKeyDCEBFNXGTCHUGY-YENBHNMQSA-N
MW5010.88 g/mol
LogP75.94
Rot. Bonds55

About bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)

bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) (PubChem CID 158676206) has the molecular formula C272H322F6Ir5N10O10Si-10 and a molecular weight of 5010.88 g/mol. Its IUPAC name is bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium).

Molecular Properties

Compound Namebis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)
PubChem CID158676206
Molecular FormulaC272H322F6Ir5N10O10Si-10
Molecular Weight5010.88 g/mol
Exact Mass5011.39
IUPAC Namebis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)
SMILESCCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(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.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C([2H])([2H])[2H])cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C(C)C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C([2H])([2H])[2H])c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)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].[Ir]
InChIInChI=1S/C24H26N.3C22H22N.C20H22NSi.2C20H20N.3C18H16N.3C14H26O2.2C13H21F3O2.5Ir/c1-16(2)21-12-17(3)13-22(15-21)24-23-9-8-19(18-6-4-5-7-18)14-20(23)10-11-25-24;3*1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;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;2*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;3*1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;3*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;;/h8-12,14-16,18H,4-7H2,1-3H3;3*7-12,14,17H,3-6H2,1-2H3;6-11,13H,1-5H3;2*5-10,12-13H,1-4H3;3*4-10H,1-3H3;3*10-11,16H,6-9H2,1-5H3;2*7,9-10,18H,4-6,8H2,1-3H3;;;;;/q10*-1;;;;;;;;;;/i11D;1D3,10D;2*10D;9D;4D3,8D;8D;3*7D;;;;;;;;;;
InChIKeyDCEBFNXGTCHUGY-YENBHNMQSA-N
XLogP75.94
TPSA315.40 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds55
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005010.88
LogP ≤ 575.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) with MolForge

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Related Compounds

(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155637550
(Z)-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-propan-2-ylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;iridium
CID 155637609
(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;iridium
CID 155637961
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;iridium
CID 155637962
[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155638079
(Z)-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)-6-propan-2-ylisoquinoline;iridium
CID 155638180
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639281
bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639333
[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline;(Z)-3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;iridium
CID 155639385
6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-3,7-diethyl-9,9-difluoro-6-hydroxydec-5-en-4-one;iridium
CID 156677166
(4-hydroxy-3-methylpent-3-en-2-ylidene)oxidanium;4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;tris(4-(3H-naphthalen-3-id-2-yl)benzo[f]isoquinoline);tris(4-naphthalen-2-ylbenzo[f]isoquinolin-3-ium);(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
CID 157086048
4-Tert-butyl-2-phenylpyridine;4-(3,4-diphenylbenzene-6-id-1-yl)benzo[f]isoquinoline;(5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium;bis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium(3-));4-(3-methyl-4-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;3-methyl-2-phenylpyridine;4-(3-phenylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(3-phenylbenzene-6-id-1-yl)-8-propan-2-ylbenzo[f]isoquinoline;4-phenyl-2-phenylpyridine;2-phenylpyridine;(1,1,1-trifluoro-4-hydroxypent-3-en-2-ylidene)oxidanium
CID 157136876

Frequently Asked Questions

What is the IUPAC name of bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)?
The IUPAC name of bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) (CID 158676206) is bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium).
What is the SMILES notation for bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)?
The canonical SMILES for bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) is CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(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.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C([2H])([2H])[2H])cc(C)c2)n1.[2H]c1cc2cc(C(C)C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C(C)C)c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C([2H])([2H])[2H])c2)n1.[2H]c1cc2cc(C3CCCC3)ccc2c(-c2[c-]c(C)cc(C)c2)n1.[2H]c1cc2cc(C3CCCC3)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].[Ir].
What is the InChIKey of bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)?
The InChIKey is DCEBFNXGTCHUGY-YENBHNMQSA-N. The full InChI is InChI=1S/C24H26N.3C22H22N.C20H22NSi.2C20H20N.3C18H16N.3C14H26O2.2C13H21F3O2.5Ir/c1-16(2)21-12-17(3)13-22(15-21)24-23-9-8-19(18-6-4-5-7-18)14-20(23)10-11-25-24;3*1-15-11-16(2)13-20(12-15)22-21-8-7-18(17-5-3-4-6-17)14-19(21)9-10-23-22;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;2*1-13(2)16-5-6-19-17(12-16)7-8-21-20(19)18-10-14(3)9-15(4)11-18;3*1-12-4-5-17-15(9-12)6-7-19-18(17)16-10-13(2)8-14(3)11-16;3*1-6-11(7-2)12(15)10-13(16)14(5,8-3)9-4;2*1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;;/h8-12,14-16,18H,4-7H2,1-3H3;3*7-12,14,17H,3-6H2,1-2H3;6-11,13H,1-5H3;2*5-10,12-13H,1-4H3;3*4-10H,1-3H3;3*10-11,16H,6-9H2,1-5H3;2*7,9-10,18H,4-6,8H2,1-3H3;;;;;/q10*-1;;;;;;;;;;/i11D;1D3,10D;2*10D;9D;4D3,8D;8D;3*7D;;;;;;;;;;.
What are the key properties of bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium)?
bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) has a molecular weight of 5010.88 g/mol, XLogP of 75.94, 55 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-cyclopentyl-3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline);6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylbenzene-2-id-1-yl)isoquinoline;6-cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;[3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;tris(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-methylisoquinoline);3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]-6-propan-2-ylisoquinoline;tris(3,7-diethyl-6-hydroxy-7-methylnon-5-en-4-one);bis(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);pentakis(iridium) is sourced from PubChem (CID 158676206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).