2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine

C60H43N5 — CID 122416167

IUPAC2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc(-c4ccccn4)cc3C)n2)c(C)cc1-c1ccccc1
InChIInChI=1S/C60H43N5/c1-38-30-45(57-21-11-12-29-62-57)26-27-50(38)59-63-58(64-60(65-59)55-32-39(2)54(31-40(55)3)43-14-5-4-6-15-43)49-34-47(42-24-22-41(23-25-42)46-17-13-28-61-37-46)33-48(35-49)56-36-44-16-7-8-18-51(44)52-19-9-10-20-53(52)56/h4-37H,1-3H3
InChIKeyCUCVYSSFHUJBSY-UHFFFAOYSA-N
MW834.04 g/mol
LogP15.23
Rot. Bonds8

About 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine

2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 122416167) has the molecular formula C60H43N5 and a molecular weight of 834.04 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID122416167
Molecular FormulaC60H43N5
Molecular Weight834.04 g/mol
Exact Mass833.35
IUPAC Name2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc(-c4ccccn4)cc3C)n2)c(C)cc1-c1ccccc1
InChIInChI=1S/C60H43N5/c1-38-30-45(57-21-11-12-29-62-57)26-27-50(38)59-63-58(64-60(65-59)55-32-39(2)54(31-40(55)3)43-14-5-4-6-15-43)49-34-47(42-24-22-41(23-25-42)46-17-13-28-61-37-46)33-48(35-49)56-36-44-16-7-8-18-51(44)52-19-9-10-20-53(52)56/h4-37H,1-3H3
InChIKeyCUCVYSSFHUJBSY-UHFFFAOYSA-N
XLogP15.23
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.04
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-bis[3-[4-(6-methyl-2-pyridinyl)phenyl]-5-phenylphenyl]-6-(3-phenylphenyl)pyrimidine;2,4-bis[4-(6-methyl-3-pyridinyl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 165068322
2-[3,5-bis(6-phenyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyrimidin-2-ylphenyl)pyrimidine;5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]quinoline;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159224759
2,4-dinaphthalen-1-yl-6-[3-phenanthren-9-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 122416044
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466231
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
5-[3-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466098
2-[3-(3-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 140703499
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine (CID 122416167) is 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine is Cc1cc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc(-c4ccccn4)cc3C)n2)c(C)cc1-c1ccccc1.
What is the InChIKey of 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is CUCVYSSFHUJBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5/c1-38-30-45(57-21-11-12-29-62-57)26-27-50(38)59-63-58(64-60(65-59)55-32-39(2)54(31-40(55)3)43-14-5-4-6-15-43)49-34-47(42-24-22-41(23-25-42)46-17-13-28-61-37-46)33-48(35-49)56-36-44-16-7-8-18-51(44)52-19-9-10-20-53(52)56/h4-37H,1-3H3.
What are the key properties of 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine?
2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 834.04 g/mol, XLogP of 15.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 122416167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).