decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine

C159H136Ir10N42S2-20 — CID 157316625

IUPACdecakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine
SMILES[CH2-]C1N(C)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(C)c2ncncc2N1c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1C(C)C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccn1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1cccs1.[CH2-]C1N(c2[c-]cccc2)c2ncncc2N1C(C)C.[CH2-]C1N(c2cccs2)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(c2ccncc2)c2cncnc2N1c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H16N4.C18H14N4.2C17H13N5.2C16H12N4S.2C15H16N4.2C13H12N4.10Ir/c1-14-8-6-7-11-17(14)23-15(2)22(16-9-4-3-5-10-16)18-12-20-13-21-19(18)23;1-14-21(15-8-4-2-5-9-15)17-12-19-13-20-18(17)22(14)16-10-6-3-7-11-16;1-13-21(14-7-3-2-4-8-14)15-11-18-12-20-17(15)22(13)16-9-5-6-10-19-16;1-13-21(15-7-9-18-10-8-15)16-11-19-12-20-17(16)22(13)14-5-3-2-4-6-14;1-12-19(13-6-3-2-4-7-13)16-14(10-17-11-18-16)20(12)15-8-5-9-21-15;1-12-19(13-6-3-2-4-7-13)14-10-17-11-18-16(14)20(12)15-8-5-9-21-15;1-11(2)18-12(3)19(13-7-5-4-6-8-13)14-9-16-10-17-15(14)18;1-11(2)18-12(3)19(13-7-5-4-6-8-13)15-14(18)9-16-10-17-15;1-10-16(2)13-12(8-14-9-15-13)17(10)11-6-4-3-5-7-11;1-10-16(2)12-8-14-9-15-13(12)17(10)11-6-4-3-5-7-11;;;;;;;;;;/h3-9,11-13,15H,2H2,1H3;2-8,10-14H,1H2;2-7,9-13H,1H2;2-5,7-13H,1H2;2*2-6,8-12H,1H2;2*4-7,9-12H,3H2,1-2H3;2*3-6,8-10H,1H2,2H3;;;;;;;;;;/q10*-2;;;;;;;;;;
InChIKeyOUAMSSCUSSQGDY-UHFFFAOYSA-N
MW4621.43 g/mol
LogP31.21
Rot. Bonds18

About decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine

decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine (PubChem CID 157316625) has the molecular formula C159H136Ir10N42S2-20 and a molecular weight of 4621.43 g/mol. Its IUPAC name is decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine.

Molecular Properties

Compound Namedecakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine
PubChem CID157316625
Molecular FormulaC159H136Ir10N42S2-20
Molecular Weight4621.43 g/mol
Exact Mass4626.78
IUPAC Namedecakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine
SMILES[CH2-]C1N(C)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(C)c2ncncc2N1c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1C(C)C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccn1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1cccs1.[CH2-]C1N(c2[c-]cccc2)c2ncncc2N1C(C)C.[CH2-]C1N(c2cccs2)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(c2ccncc2)c2cncnc2N1c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C19H16N4.C18H14N4.2C17H13N5.2C16H12N4S.2C15H16N4.2C13H12N4.10Ir/c1-14-8-6-7-11-17(14)23-15(2)22(16-9-4-3-5-10-16)18-12-20-13-21-19(18)23;1-14-21(15-8-4-2-5-9-15)17-12-19-13-20-18(17)22(14)16-10-6-3-7-11-16;1-13-21(14-7-3-2-4-8-14)15-11-18-12-20-17(15)22(13)16-9-5-6-10-19-16;1-13-21(15-7-9-18-10-8-15)16-11-19-12-20-17(16)22(13)14-5-3-2-4-6-14;1-12-19(13-6-3-2-4-7-13)16-14(10-17-11-18-16)20(12)15-8-5-9-21-15;1-12-19(13-6-3-2-4-7-13)14-10-17-11-18-16(14)20(12)15-8-5-9-21-15;1-11(2)18-12(3)19(13-7-5-4-6-8-13)14-9-16-10-17-15(14)18;1-11(2)18-12(3)19(13-7-5-4-6-8-13)15-14(18)9-16-10-17-15;1-10-16(2)13-12(8-14-9-15-13)17(10)11-6-4-3-5-7-11;1-10-16(2)12-8-14-9-15-13(12)17(10)11-6-4-3-5-7-11;;;;;;;;;;/h3-9,11-13,15H,2H2,1H3;2-8,10-14H,1H2;2-7,9-13H,1H2;2-5,7-13H,1H2;2*2-6,8-12H,1H2;2*4-7,9-12H,3H2,1-2H3;2*3-6,8-10H,1H2,2H3;;;;;;;;;;/q10*-2;;;;;;;;;;
InChIKeyOUAMSSCUSSQGDY-UHFFFAOYSA-N
XLogP31.21
TPSA348.38 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds18
Heavy Atoms213
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004621.43
LogP ≤ 531.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine with MolForge

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Frequently Asked Questions

What is the IUPAC name of decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine?
The IUPAC name of decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine (CID 157316625) is decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine.
What is the SMILES notation for decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine?
The canonical SMILES for decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine is [CH2-]C1N(C)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(C)c2ncncc2N1c1[c-]cccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1C(C)C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccc1C.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1ccccn1.[CH2-]C1N(c2[c-]cccc2)c2cncnc2N1c1cccs1.[CH2-]C1N(c2[c-]cccc2)c2ncncc2N1C(C)C.[CH2-]C1N(c2cccs2)c2cncnc2N1c1[c-]cccc1.[CH2-]C1N(c2ccncc2)c2cncnc2N1c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine?
The InChIKey is OUAMSSCUSSQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4.C18H14N4.2C17H13N5.2C16H12N4S.2C15H16N4.2C13H12N4.10Ir/c1-14-8-6-7-11-17(14)23-15(2)22(16-9-4-3-5-10-16)18-12-20-13-21-19(18)23;1-14-21(15-8-4-2-5-9-15)17-12-19-13-20-18(17)22(14)16-10-6-3-7-11-16;1-13-21(14-7-3-2-4-8-14)15-11-18-12-20-17(15)22(13)16-9-5-6-10-19-16;1-13-21(15-7-9-18-10-8-15)16-11-19-12-20-17(16)22(13)14-5-3-2-4-6-14;1-12-19(13-6-3-2-4-7-13)16-14(10-17-11-18-16)20(12)15-8-5-9-21-15;1-12-19(13-6-3-2-4-7-13)14-10-17-11-18-16(14)20(12)15-8-5-9-21-15;1-11(2)18-12(3)19(13-7-5-4-6-8-13)14-9-16-10-17-15(14)18;1-11(2)18-12(3)19(13-7-5-4-6-8-13)15-14(18)9-16-10-17-15;1-10-16(2)13-12(8-14-9-15-13)17(10)11-6-4-3-5-7-11;1-10-16(2)12-8-14-9-15-13(12)17(10)11-6-4-3-5-7-11;;;;;;;;;;/h3-9,11-13,15H,2H2,1H3;2-8,10-14H,1H2;2-7,9-13H,1H2;2-5,7-13H,1H2;2*2-6,8-12H,1H2;2*4-7,9-12H,3H2,1-2H3;2*3-6,8-10H,1H2,2H3;;;;;;;;;;/q10*-2;;;;;;;;;;.
What are the key properties of decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine?
decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine has a molecular weight of 4621.43 g/mol, XLogP of 31.21, 18 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(iridium);8-methanidyl-9-(2-methylphenyl)-7-phenyl-8H-purine;8-methanidyl-7-methyl-9-phenyl-8H-purine;8-methanidyl-9-methyl-7-phenyl-8H-purine;8-methanidyl-9-phenyl-7-phenyl-8H-purine;8-methanidyl-7-phenyl-9-propan-2-yl-8H-purine;8-methanidyl-9-phenyl-7-propan-2-yl-8H-purine;8-methanidyl-7-phenyl-9-pyridin-2-yl-8H-purine;8-methanidyl-9-phenyl-7-pyridin-4-yl-8H-purine;8-methanidyl-7-phenyl-9-thiophen-2-yl-8H-purine;8-methanidyl-9-phenyl-7-thiophen-2-yl-8H-purine is sourced from PubChem (CID 157316625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).