tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine

C121H94F4Ir4N8-8 — CID 160585759

IUPACtetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine
SMILESCc1ccnc(-c2[c-]cccc2)c1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C17H11FN.2C14H14N.C13H12N.C12H10N.4Ir/c4*18-16-9-6-13(7-10-16)15-8-11-17(19-12-15)14-4-2-1-3-5-14;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h4*1-4,6-12H;2*3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;2*1D3,11D;1D3;;;;;
InChIKeyWSAQHNCVKXZZNS-MBCGAWECSA-N
MW2516.07 g/mol
LogP30.72
Rot. Bonds18

About tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine

tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine (PubChem CID 160585759) has the molecular formula C121H94F4Ir4N8-8 and a molecular weight of 2516.07 g/mol. Its IUPAC name is tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine.

Molecular Properties

Compound Nametetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine
PubChem CID160585759
Molecular FormulaC121H94F4Ir4N8-8
Molecular Weight2516.07 g/mol
Exact Mass2517.68
IUPAC Nametetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine
SMILESCc1ccnc(-c2[c-]cccc2)c1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C17H11FN.2C14H14N.C13H12N.C12H10N.4Ir/c4*18-16-9-6-13(7-10-16)15-8-11-17(19-12-15)14-4-2-1-3-5-14;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h4*1-4,6-12H;2*3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;2*1D3,11D;1D3;;;;;
InChIKeyWSAQHNCVKXZZNS-MBCGAWECSA-N
XLogP30.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002516.07
LogP ≤ 530.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine with MolForge

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577147
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169038963
2-(4-fluorobenzene-6-id-1-yl)-5-(1-phenylethyl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 162707124
4,5-dimethyl-2-phenylpyridine;4-(4-ethylphenyl)-2-phenylpyridine;decakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;hexakis(4-phenyl-2-phenylpyridine);2-phenyl-4-(4-propan-2-ylphenyl)pyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;tetrakis(2-phenylpyridine)
CID 158178446
5-(4-fluoro-2-methylphenyl)-2-phenylpyridine;tris(iridium);4-(4-methylphenyl)-2-phenylpyridine;tris(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine
CID 158360388
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574006
4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162707969
2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;bis(iridium)
CID 159280645
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575526
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine?
The IUPAC name of tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine (CID 160585759) is tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine.
What is the SMILES notation for tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine?
The canonical SMILES for tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine is Cc1ccnc(-c2[c-]cccc2)c1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.Fc1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.[2H]C([2H])([2H])C([2H])(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])Cc1ccnc(-c2[c-]cccc2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine?
The InChIKey is WSAQHNCVKXZZNS-MBCGAWECSA-N. The full InChI is InChI=1S/4C17H11FN.2C14H14N.C13H12N.C12H10N.4Ir/c4*18-16-9-6-13(7-10-16)15-8-11-17(19-12-15)14-4-2-1-3-5-14;1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;;;;/h4*1-4,6-12H;2*3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;;;;/q8*-1;;;;/i;;;;2*1D3,11D;1D3;;;;;.
What are the key properties of tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine?
tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine has a molecular weight of 2516.07 g/mol, XLogP of 30.72, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-(4-fluorophenyl)-2-phenylpyridine);tetrakis(iridium);4-methyl-2-phenylpyridine;2-phenyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridine;2-phenyl-4-(2,2,2-trideuterioethyl)pyridine is sourced from PubChem (CID 160585759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).