bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane

C100H80Ir2N4Si2-4 — CID 159114012

IUPACbis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5cccc(-c6ccccc6)c5)cc4c4ccccc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir]
InChIInChI=1S/2C38H30NSi.2C12H10N.2Ir/c1-40(2,3)31-18-21-38(39-25-31)30-17-20-35-34-19-16-29(23-36(34)32-14-7-8-15-33(32)37(35)24-30)28-13-9-12-27(22-28)26-10-5-4-6-11-26;1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-34-20-17-29(23-36(34)32-11-7-8-12-33(32)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-16,18-25H,1-3H3;4-17,19-25H,1-3H3;2*2-7,9H,1H3;;/q4*-1;;/i;;2*1D3;;
InChIKeyZBWJWALHXZSVLD-LDGMSUNRSA-N
MW1784.41 g/mol
LogP25.48
Rot. Bonds12

About bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane

bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane (PubChem CID 159114012) has the molecular formula C100H80Ir2N4Si2-4 and a molecular weight of 1784.41 g/mol. Its IUPAC name is bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane.

Molecular Properties

Compound Namebis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
PubChem CID159114012
Molecular FormulaC100H80Ir2N4Si2-4
Molecular Weight1784.41 g/mol
Exact Mass1784.56
IUPAC Namebis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5cccc(-c6ccccc6)c5)cc4c4ccccc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir]
InChIInChI=1S/2C38H30NSi.2C12H10N.2Ir/c1-40(2,3)31-18-21-38(39-25-31)30-17-20-35-34-19-16-29(23-36(34)32-14-7-8-15-33(32)37(35)24-30)28-13-9-12-27(22-28)26-10-5-4-6-11-26;1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-34-20-17-29(23-36(34)32-11-7-8-12-33(32)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-16,18-25H,1-3H3;4-17,19-25H,1-3H3;2*2-7,9H,1H3;;/q4*-1;;/i;;2*1D3;;
InChIKeyZBWJWALHXZSVLD-LDGMSUNRSA-N
XLogP25.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001784.41
LogP ≤ 525.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane with MolForge

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Related Compounds

carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
CID 164737845
carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
CID 164737843
carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(7-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
CID 164737838
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
tris(iridium);trimethyl-[6-(10-phenyl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[6-[10-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[11-(2-propan-2-ylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;tris(trimethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)silane)
CID 160926475
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
tetrakis(iridium);tetrakis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[2-(3-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[2-(4-phenylbenzene-6-id-1-yl)-4-pyridinyl]germane;trimethyl-[6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-(2-phenyl-4-pyridinyl)germane
CID 161340323
iridium;2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573461
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577806
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701
[6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium
CID 169039448
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

Frequently Asked Questions

What is the IUPAC name of bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The IUPAC name of bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane (CID 159114012) is bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane.
What is the SMILES notation for bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The canonical SMILES for bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c4ccccc4c3c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccc(-c5cccc(-c6ccccc6)c5)cc4c4ccccc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].
What is the InChIKey of bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The InChIKey is ZBWJWALHXZSVLD-LDGMSUNRSA-N. The full InChI is InChI=1S/2C38H30NSi.2C12H10N.2Ir/c1-40(2,3)31-18-21-38(39-25-31)30-17-20-35-34-19-16-29(23-36(34)32-14-7-8-15-33(32)37(35)24-30)28-13-9-12-27(22-28)26-10-5-4-6-11-26;1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-34-20-17-29(23-36(34)32-11-7-8-12-33(32)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-16,18-25H,1-3H3;4-17,19-25H,1-3H3;2*2-7,9H,1H3;;/q4*-1;;/i;;2*1D3;;.
What are the key properties of bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane has a molecular weight of 1784.41 g/mol, XLogP of 25.48, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);bis(2-phenyl-6-(trideuteriomethyl)pyridine);trimethyl-[6-[7-(3-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane;trimethyl-[6-[7-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane is sourced from PubChem (CID 159114012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).