carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane

C51H44IrN2Si-2 — CID 164737845

IUPACcarbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2ccccc2)n1.[CH3-].[Ir]
InChIInChI=1S/C38H30NSi.C12H11N.CH3.Ir/c1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-33-12-8-7-11-32(33)34-20-17-29(23-36(34)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-17,19-25H,1-3H3;2-9H,1H3;1H3;/q-1;;-1;/i;1D3;;
InChIKeyWHMVAPHIHSLWJZ-LPGALAGZSA-N
MW908.25 g/mol
LogP13.39
Rot. Bonds6

About carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane

carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane (PubChem CID 164737845) has the molecular formula C51H44IrN2Si-2 and a molecular weight of 908.25 g/mol. Its IUPAC name is carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane.

Molecular Properties

Compound Namecarbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
PubChem CID164737845
Molecular FormulaC51H44IrN2Si-2
Molecular Weight908.25 g/mol
Exact Mass908.31
IUPAC Namecarbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2ccccc2)n1.[CH3-].[Ir]
InChIInChI=1S/C38H30NSi.C12H11N.CH3.Ir/c1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-33-12-8-7-11-32(33)34-20-17-29(23-36(34)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-17,19-25H,1-3H3;2-9H,1H3;1H3;/q-1;;-1;/i;1D3;;
InChIKeyWHMVAPHIHSLWJZ-LPGALAGZSA-N
XLogP13.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.25
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(7-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
CID 164737838
carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-(10-naphthalen-1-yl-3H-triphenylen-3-id-2-yl)-3-pyridinyl]silane
CID 164737843
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
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-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169038570
trimethyl-[6-(7-naphthalen-2-yltriphenylen-2-yl)-3-pyridinyl]silane
CID 140721404
trimethyl-[6-(6-phenyl-2-pyridinyl)-3-pyridinyl]silane
CID 166575310
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 164792166
trimethyl-[6-(7-naphthalen-1-yltriphenylen-2-yl)-3-pyridinyl]silane
CID 140721451
[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

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The IUPAC name of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane (CID 164737845) is carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane.
What is the SMILES notation for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The canonical SMILES for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]cc3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)cc5)cc4c3c2)nc1.[2H]C([2H])([2H])c1cccc(-c2ccccc2)n1.[CH3-].[Ir].
What is the InChIKey of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
The InChIKey is WHMVAPHIHSLWJZ-LPGALAGZSA-N. The full InChI is InChI=1S/C38H30NSi.C12H11N.CH3.Ir/c1-40(2,3)31-19-22-38(39-25-31)30-18-21-35-33-12-8-7-11-32(33)34-20-17-29(23-36(34)37(35)24-30)28-15-13-27(14-16-28)26-9-5-4-6-10-26;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h4-17,19-25H,1-3H3;2-9H,1H3;1H3;/q-1;;-1;/i;1D3;;.
What are the key properties of carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane?
carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane has a molecular weight of 908.25 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[6-[11-(4-phenylphenyl)-3H-triphenylen-3-id-2-yl]-3-pyridinyl]silane is sourced from PubChem (CID 164737845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).