4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane

C147H156Ir3N6-6 — CID 161112109

IUPAC4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane
SMILESC.C.C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CC(C)(C)CC(C)(C)C1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCCCC1.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[Ir].[Ir].[Ir]
InChIInChI=1S/C34H34N.C32H30N.C30H26N.3C16H18N.3CH4.3Ir/c1-22-20-35-32(17-30(22)24-18-33(2,3)21-34(4,5)19-24)23-14-15-29-27-12-7-6-10-25(27)26-11-8-9-13-28(26)31(29)16-23;1-21-20-33-31(19-29(21)22-14-16-32(2,3)17-15-22)23-12-13-28-26-10-5-4-8-24(26)25-9-6-7-11-27(25)30(28)18-23;1-20-19-31-30(18-28(20)21-9-3-2-4-10-21)22-15-16-27-25-13-6-5-11-23(25)24-12-7-8-14-26(24)29(27)17-22;3*1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;;;;;/h6-13,15-17,20,24H,18-19,21H2,1-5H3;4-11,13,18-20,22H,14-17H2,1-3H3;5-8,11-14,16-19,21H,2-4,9-10H2,1H3;3*4-7,9-10,12H,11H2,1-3H3;3*1H4;;;/q6*-1;;;;;;/i1D3,24D;1D3,22D;1D3,21D;3*11D2;;;;;;
InChIKeyCYEYRWZYKYVMGY-KCVZCOQPSA-N
MW2601.67 g/mol
LogP41.31
Rot. Bonds15

About 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane

4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane (PubChem CID 161112109) has the molecular formula C147H156Ir3N6-6 and a molecular weight of 2601.67 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane.

Molecular Properties

Compound Name4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane
PubChem CID161112109
Molecular FormulaC147H156Ir3N6-6
Molecular Weight2601.67 g/mol
Exact Mass2602.24
IUPAC Name4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane
SMILESC.C.C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CC(C)(C)CC(C)(C)C1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCCCC1.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[Ir].[Ir].[Ir]
InChIInChI=1S/C34H34N.C32H30N.C30H26N.3C16H18N.3CH4.3Ir/c1-22-20-35-32(17-30(22)24-18-33(2,3)21-34(4,5)19-24)23-14-15-29-27-12-7-6-10-25(27)26-11-8-9-13-28(26)31(29)16-23;1-21-20-33-31(19-29(21)22-14-16-32(2,3)17-15-22)23-12-13-28-26-10-5-4-8-24(26)25-9-6-7-11-27(25)30(28)18-23;1-20-19-31-30(18-28(20)21-9-3-2-4-10-21)22-15-16-27-25-13-6-5-11-23(25)24-12-7-8-14-26(24)29(27)17-22;3*1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;;;;;/h6-13,15-17,20,24H,18-19,21H2,1-5H3;4-11,13,18-20,22H,14-17H2,1-3H3;5-8,11-14,16-19,21H,2-4,9-10H2,1H3;3*4-7,9-10,12H,11H2,1-3H3;3*1H4;;;/q6*-1;;;;;;/i1D3,24D;1D3,22D;1D3,21D;3*11D2;;;;;;
InChIKeyCYEYRWZYKYVMGY-KCVZCOQPSA-N
XLogP41.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002601.67
LogP ≤ 541.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane with MolForge

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Related Compounds

4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(3-deuteriospiro[5.5]undecan-3-yl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(iridium);tris(4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine)
CID 159081729
4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium
CID 162454512
tris(4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 159971951
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452850
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 156621826
CID 158865459
CID 158865459
8-[4-[4-(1-deuterio-4-fluoro-4-methylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 161141218
4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
CID 158299288
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452923
CID 162452568
CID 162452568
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 177109120
5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-(5-phenyl-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 171051737

Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane?
The IUPAC name of 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane (CID 161112109) is 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane.
What is the SMILES notation for 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane?
The canonical SMILES for 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane is C.C.C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CC(C)(C)CC(C)(C)C1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCC(C)(C)CC1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3c4ccccc4c4ccccc4c3c2)cc1C1([2H])CCCCC1.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[2H]C([2H])(c1ccc(-c2[c-]cccc2)nc1)C(C)(C)C.[Ir].[Ir].[Ir].
What is the InChIKey of 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane?
The InChIKey is CYEYRWZYKYVMGY-KCVZCOQPSA-N. The full InChI is InChI=1S/C34H34N.C32H30N.C30H26N.3C16H18N.3CH4.3Ir/c1-22-20-35-32(17-30(22)24-18-33(2,3)21-34(4,5)19-24)23-14-15-29-27-12-7-6-10-25(27)26-11-8-9-13-28(26)31(29)16-23;1-21-20-33-31(19-29(21)22-14-16-32(2,3)17-15-22)23-12-13-28-26-10-5-4-8-24(26)25-9-6-7-11-27(25)30(28)18-23;1-20-19-31-30(18-28(20)21-9-3-2-4-10-21)22-15-16-27-25-13-6-5-11-23(25)24-12-7-8-14-26(24)29(27)17-22;3*1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;;;;;/h6-13,15-17,20,24H,18-19,21H2,1-5H3;4-11,13,18-20,22H,14-17H2,1-3H3;5-8,11-14,16-19,21H,2-4,9-10H2,1H3;3*4-7,9-10,12H,11H2,1-3H3;3*1H4;;;/q6*-1;;;;;;/i1D3,24D;1D3,22D;1D3,21D;3*11D2;;;;;;.
What are the key properties of 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane?
4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane has a molecular weight of 2601.67 g/mol, XLogP of 41.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-4,4-dimethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-5-(trideuteriomethyl)-2-(3H-triphenylen-3-id-2-yl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-2-phenylpyridine);tris(iridium);methane is sourced from PubChem (CID 161112109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).