4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C160H167FGeIr4N8Si-8 — CID 163774129

IUPAC4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
SMILESCC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc(C(C)(C)c3ccc(C)cc3)c2)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H32N.2C23H24N.C20H17FN.C19H22N.C18H14N.C15H18GeN.C14H16NSi.4Ir/c1-21-12-14-25(15-13-21)28(2,3)26-11-7-10-24(20-26)27-19-23(16-17-29-27)18-22-8-5-4-6-9-22;2*1-17(2)18-13-14-24-22(16-18)19-9-8-12-21(15-19)23(3,4)20-10-6-5-7-11-20;1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h7,11-17,19-20,22H,4-6,8-9,18H2,1-3H3;2*5-8,10-17H,1-4H3;3-6,8-14H,1-2H3;3,6-7,10,13-14,16H,2,4-5,8-9,12H2,1H3;2-10,12-13H,1H3;5-7,9-11H,1-4H3;4-7,9-11H,1-3H3;;;;/q8*-1;;;;/i18D2;2*17D;;1D3,12D2;2*1D3;;;;;
InChIKeyMUMIJPVREWZVNH-SFDBHVTASA-N
MW3105.81 g/mol
LogP40.31
Rot. Bonds28

About 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 163774129) has the molecular formula C160H167FGeIr4N8Si-8 and a molecular weight of 3105.81 g/mol. Its IUPAC name is 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

Compound Name4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
PubChem CID163774129
Molecular FormulaC160H167FGeIr4N8Si-8
Molecular Weight3105.81 g/mol
Exact Mass3108.18
IUPAC Name4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
SMILESCC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc(C(C)(C)c3ccc(C)cc3)c2)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H32N.2C23H24N.C20H17FN.C19H22N.C18H14N.C15H18GeN.C14H16NSi.4Ir/c1-21-12-14-25(15-13-21)28(2,3)26-11-7-10-24(20-26)27-19-23(16-17-29-27)18-22-8-5-4-6-9-22;2*1-17(2)18-13-14-24-22(16-18)19-9-8-12-21(15-19)23(3,4)20-10-6-5-7-11-20;1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h7,11-17,19-20,22H,4-6,8-9,18H2,1-3H3;2*5-8,10-17H,1-4H3;3-6,8-14H,1-2H3;3,6-7,10,13-14,16H,2,4-5,8-9,12H2,1H3;2-10,12-13H,1H3;5-7,9-11H,1-4H3;4-7,9-11H,1-3H3;;;;/q8*-1;;;;/i18D2;2*17D;;1D3,12D2;2*1D3;;;;;
InChIKeyMUMIJPVREWZVNH-SFDBHVTASA-N
XLogP40.31
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms175
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003105.81
LogP ≤ 540.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The IUPAC name of 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 163774129) is 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.
What is the SMILES notation for 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The canonical SMILES for 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])C1CCCCC1.[2H]C([2H])(c1ccnc(-c2[c-]ccc(C(C)(C)c3ccc(C)cc3)c2)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
The InChIKey is MUMIJPVREWZVNH-SFDBHVTASA-N. The full InChI is InChI=1S/C28H32N.2C23H24N.C20H17FN.C19H22N.C18H14N.C15H18GeN.C14H16NSi.4Ir/c1-21-12-14-25(15-13-21)28(2,3)26-11-7-10-24(20-26)27-19-23(16-17-29-27)18-22-8-5-4-6-9-22;2*1-17(2)18-13-14-24-22(16-18)19-9-8-12-21(15-19)23(3,4)20-10-6-5-7-11-20;1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-15-14-20-19(17-10-6-3-7-11-17)13-18(15)12-16-8-4-2-5-9-16;1-14-13-19-18(16-10-6-3-7-11-16)12-17(14)15-8-4-2-5-9-15;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;;/h7,11-17,19-20,22H,4-6,8-9,18H2,1-3H3;2*5-8,10-17H,1-4H3;3-6,8-14H,1-2H3;3,6-7,10,13-14,16H,2,4-5,8-9,12H2,1H3;2-10,12-13H,1H3;5-7,9-11H,1-4H3;4-7,9-11H,1-3H3;;;;/q8*-1;;;;/i18D2;2*17D;;1D3,12D2;2*1D3;;;;;.
What are the key properties of 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?
4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 3105.81 g/mol, XLogP of 40.31, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(dideuterio)methyl]-2-[3-[2-(4-methylphenyl)propan-2-yl]benzene-6-id-1-yl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;bis(4-(2-deuteriopropan-2-yl)-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine);4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 163774129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).