hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)

C495H342Ir16N56-32 — CID 157498699

IUPAChexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccncc4c3)c2)ncn1.[2H]C([2H])([2H])c1ccc2ccc(-c3cc[c-]c(-c4cnccn4)c3)cc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3ccccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ccncc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2cccc3ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C21H15N2.C21H14N.4C20H14N3.3C20H13N2.5C19H12N3.16C11H8N.16Ir/c3*1-15-11-21(23-14-22-15)20-8-4-7-18(13-20)19-10-9-16-5-2-3-6-17(16)12-19;1-2-11-19-16(7-1)8-6-12-20(19)17-9-5-10-18(15-17)21-13-3-4-14-22-21;2*1-14-10-19(23-13-22-14)18-5-2-4-16(11-18)17-8-7-15-6-3-9-21-20(15)12-17;1-14-9-20(23-13-22-14)18-4-2-3-16(10-18)17-6-5-15-7-8-21-12-19(15)11-17;1-14-5-6-15-7-8-17(12-19(15)23-14)16-3-2-4-18(11-16)20-13-21-9-10-22-20;1-2-11-21-19(8-1)18-6-3-5-16(13-18)17-10-9-15-7-4-12-22-20(15)14-17;1-2-11-21-19(8-1)17-6-3-5-15(13-17)16-9-10-20-18(14-16)7-4-12-22-20;1-2-5-16-12-18(9-8-15(16)4-1)17-6-3-7-19(13-17)20-14-21-10-11-22-20;2*1-3-15(11-17(4-1)19-13-20-9-10-22-19)16-7-6-14-5-2-8-21-18(14)12-16;2*1-3-14(11-17(4-1)19-13-20-9-10-22-19)15-6-7-18-16(12-15)5-2-8-21-18;1-2-15(10-17(3-1)19-13-21-8-9-22-19)16-5-4-14-6-7-20-12-18(14)11-16;16*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;/h3*2-7,9-14H,1H3;1-9,11-15H;2*2-4,6-13H,1H3;2*2-3,5-13H,1H3;2*1-5,7-14H;1-6,8-14H;4*1-3,5-13H;1-2,4-13H;16*1-6,8-9H;;;;;;;;;;;;;;;;/q32*-1;;;;;;;;;;;;;;;;/i3*1D3;;4*1D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUJWDQZMFYPPBBN-XLHRKDBCSA-N
MW10171.17 g/mol
LogP114.28
Rot. Bonds55

About hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)

hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) (PubChem CID 157498699) has the molecular formula C495H342Ir16N56-32 and a molecular weight of 10171.17 g/mol. Its IUPAC name is hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline).

Molecular Properties

Compound Namehexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)
PubChem CID157498699
Molecular FormulaC495H342Ir16N56-32
Molecular Weight10171.17 g/mol
Exact Mass10177.40
IUPAC Namehexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccncc4c3)c2)ncn1.[2H]C([2H])([2H])c1ccc2ccc(-c3cc[c-]c(-c4cnccn4)c3)cc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3ccccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ccncc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2cccc3ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C21H15N2.C21H14N.4C20H14N3.3C20H13N2.5C19H12N3.16C11H8N.16Ir/c3*1-15-11-21(23-14-22-15)20-8-4-7-18(13-20)19-10-9-16-5-2-3-6-17(16)12-19;1-2-11-19-16(7-1)8-6-12-20(19)17-9-5-10-18(15-17)21-13-3-4-14-22-21;2*1-14-10-19(23-13-22-14)18-5-2-4-16(11-18)17-8-7-15-6-3-9-21-20(15)12-17;1-14-9-20(23-13-22-14)18-4-2-3-16(10-18)17-6-5-15-7-8-21-12-19(15)11-17;1-14-5-6-15-7-8-17(12-19(15)23-14)16-3-2-4-18(11-16)20-13-21-9-10-22-20;1-2-11-21-19(8-1)18-6-3-5-16(13-18)17-10-9-15-7-4-12-22-20(15)14-17;1-2-11-21-19(8-1)17-6-3-5-15(13-17)16-9-10-20-18(14-16)7-4-12-22-20;1-2-5-16-12-18(9-8-15(16)4-1)17-6-3-7-19(13-17)20-14-21-10-11-22-20;2*1-3-15(11-17(4-1)19-13-20-9-10-22-19)16-7-6-14-5-2-8-21-18(14)12-16;2*1-3-14(11-17(4-1)19-13-20-9-10-22-19)15-6-7-18-16(12-15)5-2-8-21-18;1-2-15(10-17(3-1)19-13-21-8-9-22-19)16-5-4-14-6-7-20-12-18(14)11-16;16*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;/h3*2-7,9-14H,1H3;1-9,11-15H;2*2-4,6-13H,1H3;2*2-3,5-13H,1H3;2*1-5,7-14H;1-6,8-14H;4*1-3,5-13H;1-2,4-13H;16*1-6,8-9H;;;;;;;;;;;;;;;;/q32*-1;;;;;;;;;;;;;;;;/i3*1D3;;4*1D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUJWDQZMFYPPBBN-XLHRKDBCSA-N
XLogP114.28
TPSA721.84 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds55
Heavy Atoms567
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 50010171.17
LogP ≤ 5114.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)?
The IUPAC name of hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) (CID 157498699) is hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline).
What is the SMILES notation for hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)?
The canonical SMILES for hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) is [2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4cccnc4c3)c2)ncn1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4ccncc4c3)c2)ncn1.[2H]C([2H])([2H])c1ccc2ccc(-c3cc[c-]c(-c4cnccn4)c3)cc2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccc3ccccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3cccnc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ccncc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1ccccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2ccc3ncccc3c2)cc1-c1cnccn1.[c-]1ccc(-c2cccc3ccccc23)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)?
The InChIKey is UJWDQZMFYPPBBN-XLHRKDBCSA-N. The full InChI is InChI=1S/3C21H15N2.C21H14N.4C20H14N3.3C20H13N2.5C19H12N3.16C11H8N.16Ir/c3*1-15-11-21(23-14-22-15)20-8-4-7-18(13-20)19-10-9-16-5-2-3-6-17(16)12-19;1-2-11-19-16(7-1)8-6-12-20(19)17-9-5-10-18(15-17)21-13-3-4-14-22-21;2*1-14-10-19(23-13-22-14)18-5-2-4-16(11-18)17-8-7-15-6-3-9-21-20(15)12-17;1-14-9-20(23-13-22-14)18-4-2-3-16(10-18)17-6-5-15-7-8-21-12-19(15)11-17;1-14-5-6-15-7-8-17(12-19(15)23-14)16-3-2-4-18(11-16)20-13-21-9-10-22-20;1-2-11-21-19(8-1)18-6-3-5-16(13-18)17-10-9-15-7-4-12-22-20(15)14-17;1-2-11-21-19(8-1)17-6-3-5-15(13-17)16-9-10-20-18(14-16)7-4-12-22-20;1-2-5-16-12-18(9-8-15(16)4-1)17-6-3-7-19(13-17)20-14-21-10-11-22-20;2*1-3-15(11-17(4-1)19-13-20-9-10-22-19)16-7-6-14-5-2-8-21-18(14)12-16;2*1-3-14(11-17(4-1)19-13-20-9-10-22-19)15-6-7-18-16(12-15)5-2-8-21-18;1-2-15(10-17(3-1)19-13-21-8-9-22-19)16-5-4-14-6-7-20-12-18(14)11-16;16*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;;;;;;;;;;/h3*2-7,9-14H,1H3;1-9,11-15H;2*2-4,6-13H,1H3;2*2-3,5-13H,1H3;2*1-5,7-14H;1-6,8-14H;4*1-3,5-13H;1-2,4-13H;16*1-6,8-9H;;;;;;;;;;;;;;;;/q32*-1;;;;;;;;;;;;;;;;/i3*1D3;;4*1D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline)?
hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) has a molecular weight of 10171.17 g/mol, XLogP of 114.28, 55 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecakis(iridium);2-(3-naphthalen-2-ylbenzene-6-id-1-yl)pyrazine;2-(3-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;tris(4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-6-(trideuteriomethyl)pyrimidine);hexadecakis(2-phenylpyridine);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)isoquinoline;bis(6-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);bis(7-(3-pyrazin-2-ylbenzene-4-id-1-yl)quinoline);7-(3-pyrazin-2-ylbenzene-4-id-1-yl)-2-(trideuteriomethyl)quinoline;6-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-(3-pyridin-2-ylbenzene-4-id-1-yl)quinoline;7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]isoquinoline;bis(7-[3-[6-(trideuteriomethyl)pyrimidin-4-yl]benzene-4-id-1-yl]quinoline) is sourced from PubChem (CID 157498699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).