2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine

C86H79N3 — CID 153439015

IUPAC2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C86H79N3/c1-56-45-82(87-53-79(56)59-21-13-10-14-22-59)65-35-29-62(30-36-65)73-27-19-20-28-74(73)68-48-69(75-43-41-71(85(4,5)6)51-77(75)63-31-37-66(38-32-63)83-46-57(2)80(54-88-83)60-23-15-11-16-24-60)50-70(49-68)76-44-42-72(86(7,8)9)52-78(76)64-33-39-67(40-34-64)84-47-58(3)81(55-89-84)61-25-17-12-18-26-61/h10-47,51-55,68-70H,48-50H2,1-9H3/i1D3,2D3,3D3
InChIKeyQIPQQRVKRJGASH-GQALSZNTSA-N
MW1163.65 g/mol
LogP23.23
Rot. Bonds15

About 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine

2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine (PubChem CID 153439015) has the molecular formula C86H79N3 and a molecular weight of 1163.65 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
PubChem CID153439015
Molecular FormulaC86H79N3
Molecular Weight1163.65 g/mol
Exact Mass1162.68
IUPAC Name2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1
InChIInChI=1S/C86H79N3/c1-56-45-82(87-53-79(56)59-21-13-10-14-22-59)65-35-29-62(30-36-65)73-27-19-20-28-74(73)68-48-69(75-43-41-71(85(4,5)6)51-77(75)63-31-37-66(38-32-63)83-46-57(2)80(54-88-83)60-23-15-11-16-24-60)50-70(49-68)76-44-42-72(86(7,8)9)52-78(76)64-33-39-67(40-34-64)84-47-58(3)81(55-89-84)61-25-17-12-18-26-61/h10-47,51-55,68-70H,48-50H2,1-9H3/i1D3,2D3,3D3
InChIKeyQIPQQRVKRJGASH-GQALSZNTSA-N
XLogP23.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.65
LogP ≤ 523.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
CID 138744264
CID 145440494
CID 145440494
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]-4-tert-butylphenyl]cyclohexyl]phenyl]-3-bromobenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;iridium(3+)
CID 153439090
5-[2-[3,5-bis[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]cyclohexyl]-4-tert-butylphenyl]-2-[4-[4-tert-butyl-2-[3-[4-tert-butyl-2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]cyclohexyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
CID 148911148
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]-4-(cyclohexylmethyl)-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
CID 153439099
2-[4-[2-[3,5-bis[4-tert-butyl-2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]benzene-2,6-diid-1-yl]-5-[2-[3-[4-tert-butyl-2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]-5-[4-tert-butyl-2-(5-phenyl-6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]pyrimidine;bis(iridium(3+))
CID 153449029
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-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
CID 146184057
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine (CID 153439015) is 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine?
The InChIKey is QIPQQRVKRJGASH-GQALSZNTSA-N. The full InChI is InChI=1S/C86H79N3/c1-56-45-82(87-53-79(56)59-21-13-10-14-22-59)65-35-29-62(30-36-65)73-27-19-20-28-74(73)68-48-69(75-43-41-71(85(4,5)6)51-77(75)63-31-37-66(38-32-63)83-46-57(2)80(54-88-83)60-23-15-11-16-24-60)50-70(49-68)76-44-42-72(86(7,8)9)52-78(76)64-33-39-67(40-34-64)84-47-58(3)81(55-89-84)61-25-17-12-18-26-61/h10-47,51-55,68-70H,48-50H2,1-9H3/i1D3,2D3,3D3.
What are the key properties of 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine?
2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine has a molecular weight of 1163.65 g/mol, XLogP of 23.23, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 153439015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).