2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine

C46H38N2O2 — CID 162771227

IUPAC2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cc(Oc3cc(-c4cc(-c5ccc(C)cc5C)c(C)cn4)c4oc5ccccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H]
InChIInChI=1S/C46H38N2O2/c1-27-16-17-36(29(3)18-27)38-24-43(48-26-31(38)5)41-23-35(22-40-37-14-10-11-15-44(37)50-46(40)41)49-45-21-34(42-19-28(2)30(4)25-47-42)20-39(32(45)6)33-12-8-7-9-13-33/h7-26H,1-6H3/i2D3,4D3,6D3
InChIKeyCJHIFVLCFZTPQT-UTCIYBHISA-N
MW659.88 g/mol
LogP12.69
Rot. Bonds9

About 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine

2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine (PubChem CID 162771227) has the molecular formula C46H38N2O2 and a molecular weight of 659.88 g/mol. Its IUPAC name is 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine
PubChem CID162771227
Molecular FormulaC46H38N2O2
Molecular Weight659.88 g/mol
Exact Mass659.35
IUPAC Name2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2cc(Oc3cc(-c4cc(-c5ccc(C)cc5C)c(C)cn4)c4oc5ccccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H]
InChIInChI=1S/C46H38N2O2/c1-27-16-17-36(29(3)18-27)38-24-43(48-26-31(38)5)41-23-35(22-40-37-14-10-11-15-44(37)50-46(40)41)49-45-21-34(42-19-28(2)30(4)25-47-42)20-39(32(45)6)33-12-8-7-9-13-33/h7-26H,1-6H3/i2D3,4D3,6D3
InChIKeyCJHIFVLCFZTPQT-UTCIYBHISA-N
XLogP12.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine with MolForge

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Related Compounds

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
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]-7-methyldibenzofuran-4-yl]-4-[4-(1-deuterio-3,3,5,5-tetramethylcyclohexyl)-2,4-dimethylcyclohexyl]-5-methylpyridine
CID 163493074
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
(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-[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
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
CID 162708001
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-8-(trideuteriomethyl)-3,20-dioxa-7-azapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 176823176
2-[1-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 162709912

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine?
The IUPAC name of 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) is 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine.
What is the SMILES notation for 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine?
The canonical SMILES for 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine is [2H]C([2H])([2H])c1cnc(-c2cc(Oc3cc(-c4cc(-c5ccc(C)cc5C)c(C)cn4)c4oc5ccccc5c4c3)c(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C([2H])([2H])[2H].
What is the InChIKey of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine?
The InChIKey is CJHIFVLCFZTPQT-UTCIYBHISA-N. The full InChI is InChI=1S/C46H38N2O2/c1-27-16-17-36(29(3)18-27)38-24-43(48-26-31(38)5)41-23-35(22-40-37-14-10-11-15-44(37)50-46(40)41)49-45-21-34(42-19-28(2)30(4)25-47-42)20-39(32(45)6)33-12-8-7-9-13-33/h7-26H,1-6H3/i2D3,4D3,6D3.
What are the key properties of 2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine?
2-[2-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine has a molecular weight of 659.88 g/mol, XLogP of 12.69, 9 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]dibenzofuran-4-yl]-4-(2,4-dimethylphenyl)-5-methylpyridine is sourced from PubChem (CID 162771227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).