2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine

C58H60N2O2 — CID 172526091

IUPAC2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)C(C)(C)C(C)(C)C5)cc4C)c(C)cn3)cc(Oc3cc(-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn4)cc(-c4ccccc4)c3C([2H])([2H])[2H])cc12
InChIInChI=1S/C58H60N2O2/c1-34-18-20-46-49-27-44(61-53-26-42(51-24-35(2)37(4)32-59-51)25-48(39(53)6)40-16-14-13-15-17-40)28-50(55(49)62-54(46)22-34)52-29-47(38(5)33-60-52)45-21-19-41(23-36(45)3)43-30-56(7,8)58(11,12)57(9,10)31-43/h13-29,32-33,43H,30-31H2,1-12H3/i1D3,2D3,4D3,6D3,43D
InChIKeyIMGYBPTVFPWCHP-UUXRDQKTSA-N
MW830.21 g/mol
LogP16.64
Rot. Bonds11

About 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine

2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine (PubChem CID 172526091) has the molecular formula C58H60N2O2 and a molecular weight of 830.21 g/mol. Its IUPAC name is 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine
PubChem CID172526091
Molecular FormulaC58H60N2O2
Molecular Weight830.21 g/mol
Exact Mass829.55
IUPAC Name2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine
SMILES[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)C(C)(C)C(C)(C)C5)cc4C)c(C)cn3)cc(Oc3cc(-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn4)cc(-c4ccccc4)c3C([2H])([2H])[2H])cc12
InChIInChI=1S/C58H60N2O2/c1-34-18-20-46-49-27-44(61-53-26-42(51-24-35(2)37(4)32-59-51)25-48(39(53)6)40-16-14-13-15-17-40)28-50(55(49)62-54(46)22-34)52-29-47(38(5)33-60-52)45-21-19-41(23-36(45)3)43-30-56(7,8)58(11,12)57(9,10)31-43/h13-29,32-33,43H,30-31H2,1-12H3/i1D3,2D3,4D3,6D3,43D
InChIKeyIMGYBPTVFPWCHP-UUXRDQKTSA-N
XLogP16.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.21
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine with MolForge

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Related Compounds

6-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylphenyl]-5-methyl-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 163785591
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine
CID 162771227
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-methyldibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine
CID 163493074
(2Z,4E)-5-[3-[4-[4-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methyl-2-pyridinyl]-7-(trideuteriomethyl)dibenzofuran-2-yl]oxy-5-phenyl-4-(trideuteriomethyl)phenyl]-2,3-bis(trideuteriomethyl)hexa-2,4-dien-1-imine
CID 172526071
2-[6-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine
CID 162771080
2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-2-methylphenyl]-5-methylpyridine;2-[8-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)benzene-6-id-1-yl]oxy-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-4-[4-(1-deuterio-3,3,4,4-tetramethylcyclohexyl)-2-methylphenyl]-5-methylpyridine;tris(platinum(2+))
CID 163846740
2-[7-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl]-4-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylcyclohexyl]-2,4-dimethylcyclohexyl]-5-methylpyridine
CID 162771189
CID 162771228
CID 162771228
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
4-[4-(1-deuteriocyclopentyl)-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 162452571
5-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium
CID 162452860
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine?
The IUPAC name of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine (CID 172526091) is 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine?
The canonical SMILES for 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine is [2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3cc(-c4ccc(C5([2H])CC(C)(C)C(C)(C)C(C)(C)C5)cc4C)c(C)cn3)cc(Oc3cc(-c4cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn4)cc(-c4ccccc4)c3C([2H])([2H])[2H])cc12.
What is the InChIKey of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine?
The InChIKey is IMGYBPTVFPWCHP-UUXRDQKTSA-N. The full InChI is InChI=1S/C58H60N2O2/c1-34-18-20-46-49-27-44(61-53-26-42(51-24-35(2)37(4)32-59-51)25-48(39(53)6)40-16-14-13-15-17-40)28-50(55(49)62-54(46)22-34)52-29-47(38(5)33-60-52)45-21-19-41(23-36(45)3)43-30-56(7,8)58(11,12)57(9,10)31-43/h13-29,32-33,43H,30-31H2,1-12H3/i1D3,2D3,4D3,6D3,43D.
What are the key properties of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine?
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine has a molecular weight of 830.21 g/mol, XLogP of 16.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-7-(trideuteriomethyl)dibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,4,4,5,5-hexamethylcyclohexyl)-2-methylphenyl]-5-methylpyridine is sourced from PubChem (CID 172526091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).