2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine

C69H53N3O — CID 165148195

IUPAC2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)ccn5)cc4)c3)cc2)nc1
InChIInChI=1S/C69H53N3O/c1-46-35-37-70-66(39-46)56-22-18-49(19-23-56)13-15-51-40-50(14-12-48-16-20-55(21-17-48)65-34-11-47(2)45-72-65)41-60(42-51)62-8-4-3-7-61(62)54-28-30-57(31-29-54)67-43-59(36-38-71-67)53-26-24-52(25-27-53)58-32-33-64-63-9-5-6-10-68(63)73-69(64)44-58/h3-11,16-45H,12-15H2,1-2H3/i1D3,2D3
InChIKeyXYAZFIABQBVOTE-WFGJKAKNSA-N
MW946.24 g/mol
LogP17.63
Rot. Bonds15

About 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine

2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine (PubChem CID 165148195) has the molecular formula C69H53N3O and a molecular weight of 946.24 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
PubChem CID165148195
Molecular FormulaC69H53N3O
Molecular Weight946.24 g/mol
Exact Mass945.46
IUPAC Name2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)ccn5)cc4)c3)cc2)nc1
InChIInChI=1S/C69H53N3O/c1-46-35-37-70-66(39-46)56-22-18-49(19-23-56)13-15-51-40-50(14-12-48-16-20-55(21-17-48)65-34-11-47(2)45-72-65)41-60(42-51)62-8-4-3-7-61(62)54-28-30-57(31-29-54)67-43-59(36-38-71-67)53-26-24-52(25-27-53)58-32-33-64-63-9-5-6-10-68(63)73-69(64)44-58/h3-11,16-45H,12-15H2,1-2H3/i1D3,2D3
InChIKeyXYAZFIABQBVOTE-WFGJKAKNSA-N
XLogP17.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.24
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

4-(trideuteriomethyl)-2-[4-[2-[3-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]-2-triphenylen-2-ylphenyl]phenyl]phenyl]ethyl]phenyl]pyridine
CID 165149274
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2-pyridinyl]phenyl]phenyl]-5-methylphenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048594
2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
CID 167363047
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-dibenzofuran-2-ylbenzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium(3+)
CID 165148259
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
CID 176729025
2-[4-[2-[3-[2-[4-[4-[2-[6-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-pyridinyl]ethyl]-2-pyridinyl]phenyl]ethyl]-5-[2-[4-(4-methyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)phenyl]-5-[2-[2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-[2-[2-(4-dibenzofuran-3-ylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]phenyl]-4-pyridinyl]-2-methylpropyl]-4-methylpyridine
CID 139429515
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
CID 165148897
4-[4-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]-3-fluorobenzonitrile
CID 169297634

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine (CID 165148195) is 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)ccn5)cc4)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine?
The InChIKey is XYAZFIABQBVOTE-WFGJKAKNSA-N. The full InChI is InChI=1S/C69H53N3O/c1-46-35-37-70-66(39-46)56-22-18-49(19-23-56)13-15-51-40-50(14-12-48-16-20-55(21-17-48)65-34-11-47(2)45-72-65)41-60(42-51)62-8-4-3-7-61(62)54-28-30-57(31-29-54)67-43-59(36-38-71-67)53-26-24-52(25-27-53)58-32-33-64-63-9-5-6-10-68(63)73-69(64)44-58/h3-11,16-45H,12-15H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine?
2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine has a molecular weight of 946.24 g/mol, XLogP of 17.63, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 165148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).