2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine

C70H50N4 — CID 159274930

IUPAC2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(C)cn2)ncc1-c1cccc(-c2cccc(-c3ccccc3-c3ccnc(-c4cccc(-c5ccccc5-c5cccc(-c6cccc(-c7ccc(-c8ccccn8)cc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C70H50N4/c1-47-29-34-68(73-45-47)70-38-48(2)66(46-74-70)59-22-12-18-55(42-59)54-17-11-20-57(41-54)63-25-5-6-27-65(63)60-35-37-72-69(44-60)61-23-13-21-58(43-61)64-26-4-3-24-62(64)56-19-10-16-53(40-56)52-15-9-14-51(39-52)49-30-32-50(33-31-49)67-28-7-8-36-71-67/h3-46H,1-2H3/i2D3
InChIKeyUMUFVVBJVBSUMP-BMSJAHLVSA-N
MW950.22 g/mol
LogP18.22
Rot. Bonds12

About 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine

2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine (PubChem CID 159274930) has the molecular formula C70H50N4 and a molecular weight of 950.22 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
PubChem CID159274930
Molecular FormulaC70H50N4
Molecular Weight950.22 g/mol
Exact Mass949.42
IUPAC Name2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(C)cn2)ncc1-c1cccc(-c2cccc(-c3ccccc3-c3ccnc(-c4cccc(-c5ccccc5-c5cccc(-c6cccc(-c7ccc(-c8ccccn8)cc7)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C70H50N4/c1-47-29-34-68(73-45-47)70-38-48(2)66(46-74-70)59-22-12-18-55(42-59)54-17-11-20-57(41-54)63-25-5-6-27-65(63)60-35-37-72-69(44-60)61-23-13-21-58(43-61)64-26-4-3-24-62(64)56-19-10-16-53(40-56)52-15-9-14-51(39-52)49-30-32-50(33-31-49)67-28-7-8-36-71-67/h3-46H,1-2H3/i2D3
InChIKeyUMUFVVBJVBSUMP-BMSJAHLVSA-N
XLogP18.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.22
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 176725781
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-phenyl-5-[2-[3-[2-[6-[3-(3-phenylphenyl)phenyl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153458053
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
CID 140838789
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 166502915
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine (CID 159274930) is 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2ccc(C)cn2)ncc1-c1cccc(-c2cccc(-c3ccccc3-c3ccnc(-c4cccc(-c5ccccc5-c5cccc(-c6cccc(-c7ccc(-c8ccccn8)cc7)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?
The InChIKey is UMUFVVBJVBSUMP-BMSJAHLVSA-N. The full InChI is InChI=1S/C70H50N4/c1-47-29-34-68(73-45-47)70-38-48(2)66(46-74-70)59-22-12-18-55(42-59)54-17-11-20-57(41-54)63-25-5-6-27-65(63)60-35-37-72-69(44-60)61-23-13-21-58(43-61)64-26-4-3-24-62(64)56-19-10-16-53(40-56)52-15-9-14-51(39-52)49-30-32-50(33-31-49)67-28-7-8-36-71-67/h3-46H,1-2H3/i2D3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine?
2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine has a molecular weight of 950.22 g/mol, XLogP of 18.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159274930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).