2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine

C58H42N4 — CID 170118120

IUPAC2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6c(-c7ccccc7)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc4)n3)c2)c(C)n1
InChIInChI=1S/C58H42N4/c1-39-26-35-52(40(2)59-39)49-24-15-25-50(36-49)58-61-56(47-22-13-6-14-23-47)60-57(62-58)48-33-29-43(30-34-48)42-27-31-46(32-28-42)55-53(44-18-9-4-10-19-44)37-51(41-16-7-3-8-17-41)38-54(55)45-20-11-5-12-21-45/h3-38H,1-2H3
InChIKeyLGEXSUDTDGGNKK-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.89
Rot. Bonds9

About 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine

2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 170118120) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID170118120
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6c(-c7ccccc7)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc4)n3)c2)c(C)n1
InChIInChI=1S/C58H42N4/c1-39-26-35-52(40(2)59-39)49-24-15-25-50(36-49)58-61-56(47-22-13-6-14-23-47)60-57(62-58)48-33-29-43(30-34-48)42-27-31-46(32-28-42)55-53(44-18-9-4-10-19-44)37-51(41-16-7-3-8-17-41)38-54(55)45-20-11-5-12-21-45/h3-38H,1-2H3
InChIKeyLGEXSUDTDGGNKK-UHFFFAOYSA-N
XLogP14.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 164951309
2-[3-[6-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,5,6-triphenylpyrazine;2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 164979934
2-dibenzofuran-3-yl-4-(2,6-dimethyl-3-pyridinyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[3-(2,4,6-triphenylphenyl)phenyl]-1,3,5-triazine;2-(2,6-dimethyl-4-pyridinyl)-4-phenyl-6-[4-(2,4,6-triphenylphenyl)phenyl]-1,3,5-triazine
CID 164996807
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164779744
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-[4-(3,5-ditert-butylphenyl)phenyl]-4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159606604
2-[3-[2-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 156513018
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 170118120) is 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine is Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6c(-c7ccccc7)cc(-c7ccccc7)cc6-c6ccccc6)cc5)cc4)n3)c2)c(C)n1.
What is the InChIKey of 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is LGEXSUDTDGGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-39-26-35-52(40(2)59-39)49-24-15-25-50(36-49)58-61-56(47-22-13-6-14-23-47)60-57(62-58)48-33-29-43(30-34-48)42-27-31-46(32-28-42)55-53(44-18-9-4-10-19-44)37-51(41-16-7-3-8-17-41)38-54(55)45-20-11-5-12-21-45/h3-38H,1-2H3.
What are the key properties of 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine?
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 795.00 g/mol, XLogP of 14.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 170118120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).