2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C172H156Ir4N8O2Si-8 — CID 163669288

IUPAC2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H22N.C24H22NO.C22H22N.C20H16NO.C20H20NSi.3C20H18N.4Ir/c1-26(2,23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-25(27-19-24)22-11-7-4-8-12-22;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;3*1-20(2,17-11-7-4-8-12-17)18-13-14-19(21-15-18)16-9-5-3-6-10-16;;;;/h3-11,13-19H,1-2H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;4-9,11-13,15-16H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;3*3-9,11-15H,1-2H3;;;;/q8*-1;;;;/i;15D2;14D2;13D;;;;;;;;
InChIKeyIZUZDAWKEKZWOD-FULAAKNTSA-N
MW3169.18 g/mol
LogP43.50
Rot. Bonds24

About 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 163669288) has the molecular formula C172H156Ir4N8O2Si-8 and a molecular weight of 3169.18 g/mol. Its IUPAC name is 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID163669288
Molecular FormulaC172H156Ir4N8O2Si-8
Molecular Weight3169.18 g/mol
Exact Mass3170.10
IUPAC Name2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C26H22N.C24H22NO.C22H22N.C20H16NO.C20H20NSi.3C20H18N.4Ir/c1-26(2,23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-25(27-19-24)22-11-7-4-8-12-22;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;3*1-20(2,17-11-7-4-8-12-17)18-13-14-19(21-15-18)16-9-5-3-6-10-16;;;;/h3-11,13-19H,1-2H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;4-9,11-13,15-16H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;3*3-9,11-15H,1-2H3;;;;/q8*-1;;;;/i;15D2;14D2;13D;;;;;;;;
InChIKeyIZUZDAWKEKZWOD-FULAAKNTSA-N
XLogP43.50
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003169.18
LogP ≤ 543.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 163669288) is 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])(c1ccccc1)c1ccnc(-c2[c-]ccc(C(C)(C)C)c2)c1.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is IZUZDAWKEKZWOD-FULAAKNTSA-N. The full InChI is InChI=1S/C26H22N.C24H22NO.C22H22N.C20H16NO.C20H20NSi.3C20H18N.4Ir/c1-26(2,23-15-13-21(14-16-23)20-9-5-3-6-10-20)24-17-18-25(27-19-24)22-11-7-4-8-12-22;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;1-22(2,3)20-11-7-10-19(16-20)21-15-18(12-13-23-21)14-17-8-5-4-6-9-17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;3*1-20(2,17-11-7-4-8-12-17)18-13-14-19(21-15-18)16-9-5-3-6-10-16;;;;/h3-11,13-19H,1-2H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;4-9,11-13,15-16H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;3*3-9,11-15H,1-2H3;;;;/q8*-1;;;;/i;15D2;14D2;13D;;;;;;;;.
What are the key properties of 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 3169.18 g/mol, XLogP of 43.50, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylbenzene-6-id-1-yl)-4-[dideuterio(phenyl)methyl]pyridine;4-[cyclohexyl(dideuterio)methyl]-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4-(2-deuteriopropan-2-yl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;tetrakis(iridium);2-phenyl-5-[2-(4-phenylphenyl)propan-2-yl]pyridine;tris(2-phenyl-5-(2-phenylpropan-2-yl)pyridine);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 163669288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).