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

C72H53N3 — CID 153458053

IUPAC2-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
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C([2H])([2H])[2H])c1
InChIInChI=1S/C72H53N3/c1-48-37-70(52-23-9-5-10-24-52)73-45-67(48)64-34-16-13-31-61(64)58-42-59(62-32-14-17-35-65(62)68-46-74-71(38-49(68)2)53-25-11-6-12-26-53)44-60(43-58)63-33-15-18-36-66(63)69-47-75-72(39-50(69)3)57-30-20-29-56(41-57)55-28-19-27-54(40-55)51-21-7-4-8-22-51/h4-47H,1-3H3/i1D3,2D3,3D3
InChIKeyZFZXLZGEHAPREI-GQALSZNTSA-N
MW969.29 g/mol
LogP19.13
Rot. Bonds14

About 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

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 (PubChem CID 153458053) has the molecular formula C72H53N3 and a molecular weight of 969.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID153458053
Molecular FormulaC72H53N3
Molecular Weight969.29 g/mol
Exact Mass968.48
IUPAC Name2-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
SMILES[2H]C([2H])([2H])c1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C([2H])([2H])[2H])c1
InChIInChI=1S/C72H53N3/c1-48-37-70(52-23-9-5-10-24-52)73-45-67(48)64-34-16-13-31-61(64)58-42-59(62-32-14-17-35-65(62)68-46-74-71(38-49(68)2)53-25-11-6-12-26-53)44-60(43-58)63-33-15-18-36-66(63)69-47-75-72(39-50(69)3)57-30-20-29-56(41-57)55-28-19-27-54(40-55)51-21-7-4-8-22-51/h4-47H,1-3H3/i1D3,2D3,3D3
InChIKeyZFZXLZGEHAPREI-GQALSZNTSA-N
XLogP19.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.29
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
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-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
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
5-phenyl-3-(3-phenylphenyl)-6-(trideuteriomethyl)-5H-indeno[1,2-c]pyridine
CID 169291706
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191341
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
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2C([2H])([2H])[2H])c1.
What is the InChIKey of 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?
The InChIKey is ZFZXLZGEHAPREI-GQALSZNTSA-N. The full InChI is InChI=1S/C72H53N3/c1-48-37-70(52-23-9-5-10-24-52)73-45-67(48)64-34-16-13-31-61(64)58-42-59(62-32-14-17-35-65(62)68-46-74-71(38-49(68)2)53-25-11-6-12-26-53)44-60(43-58)63-33-15-18-36-66(63)69-47-75-72(39-50(69)3)57-30-20-29-56(41-57)55-28-19-27-54(40-55)51-21-7-4-8-22-51/h4-47H,1-3H3/i1D3,2D3,3D3.
What are the key properties of 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?
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 has a molecular weight of 969.29 g/mol, XLogP of 19.13, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153458053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).