4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium

C56H61IrN3OSi-2 — CID 176802701

IUPAC4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
SMILESCC(C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc(C#N)ccc23)cc1-c1c(C(C)C)cc(C2([2H])CC[Si]3(CCCCC3)CC2)cc1C(C)C.[Ir]
InChIInChI=1S/C41H45N2OSi.C15H16N.Ir/c1-26(2)35-21-31(30-14-18-45(19-15-30)16-7-6-8-17-45)22-36(27(3)4)40(35)37-23-38(43-25-28(37)5)34-11-9-10-33-32-13-12-29(24-42)20-39(32)44-41(33)34;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;/h9-10,12-13,20-23,25-27,30H,6-8,14-19H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3,30D;;
InChIKeyKNIZEOZRPLGEGM-MIZNQJDWSA-N
MW1016.45 g/mol
LogP15.90
Rot. Bonds7

About 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium

4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium (PubChem CID 176802701) has the molecular formula C56H61IrN3OSi-2 and a molecular weight of 1016.45 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium.

Molecular Properties

Compound Name4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
PubChem CID176802701
Molecular FormulaC56H61IrN3OSi-2
Molecular Weight1016.45 g/mol
Exact Mass1016.45
IUPAC Name4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
SMILESCC(C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc(C#N)ccc23)cc1-c1c(C(C)C)cc(C2([2H])CC[Si]3(CCCCC3)CC2)cc1C(C)C.[Ir]
InChIInChI=1S/C41H45N2OSi.C15H16N.Ir/c1-26(2)35-21-31(30-14-18-45(19-15-30)16-7-6-8-17-45)22-36(27(3)4)40(35)37-23-38(43-25-28(37)5)34-11-9-10-33-32-13-12-29(24-42)20-39(32)44-41(33)34;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;/h9-10,12-13,20-23,25-27,30H,6-8,14-19H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3,30D;;
InChIKeyKNIZEOZRPLGEGM-MIZNQJDWSA-N
XLogP15.90
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.45
LogP ≤ 515.90
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'}

Analyze 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 176802702
CID 176583832
CID 176583832
CID 176583983
CID 176583983
6-[4-[2,6-dideuterio-4-(2,2-dimethylpropyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenylpyridine
CID 169301575
6-[4-[2-deuterio-4-(4-deuterio-1,1-dimethylgerminan-4-yl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 176802804
4-tert-butyl-2-[3-[2,6-di(propan-2-yl)phenyl]-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;4-[2-deuterio-4-(1-deuterio-4,4-dimethylcyclohexyl)-6-(trideuteriomethyl)phenyl]-2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium
CID 176583968
6-[4-[2,6-dideuterio-4-(2,2-dimethylpropyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169301666
CID 176583782
CID 176583782
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-phenylpropan-2-yl)pyridine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 162708497
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
CID 176583730
CID 176583730
6-[5-[2-[3,5-bis[1,1,2,2-tetradeuterio-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)ethyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-propan-2-yl-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)
CID 170931170

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?
The IUPAC name of 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium (CID 176802701) is 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium.
What is the SMILES notation for 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?
The canonical SMILES for 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium is CC(C)(C)c1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc(C#N)ccc23)cc1-c1c(C(C)C)cc(C2([2H])CC[Si]3(CCCCC3)CC2)cc1C(C)C.[Ir].
What is the InChIKey of 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?
The InChIKey is KNIZEOZRPLGEGM-MIZNQJDWSA-N. The full InChI is InChI=1S/C41H45N2OSi.C15H16N.Ir/c1-26(2)35-21-31(30-14-18-45(19-15-30)16-7-6-8-17-45)22-36(27(3)4)40(35)37-23-38(43-25-28(37)5)34-11-9-10-33-32-13-12-29(24-42)20-39(32)44-41(33)34;1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12;/h9-10,12-13,20-23,25-27,30H,6-8,14-19H2,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3,30D;;.
What are the key properties of 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?
4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium has a molecular weight of 1016.45 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylpyridine;6-[4-[4-(3-deuterio-6-silaspiro[5.5]undecan-3-yl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium is sourced from PubChem (CID 176802701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).