2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C63H39N3 — CID 129150891

IUPAC2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)cc2)cc1
InChIInChI=1S/C63H39N3/c1-3-15-40(16-4-1)41-27-29-43(30-28-41)62-64-61(42-17-5-2-6-18-42)65-63(66-62)48-36-46(44-31-33-57-53-23-9-7-19-49(53)51-21-11-13-25-55(51)59(57)38-44)35-47(37-48)45-32-34-58-54-24-10-8-20-50(54)52-22-12-14-26-56(52)60(58)39-45/h1-39H
InChIKeyUETCJFWEDAUUAW-UHFFFAOYSA-N
MW838.03 g/mol
LogP16.79
Rot. Bonds6

About 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 129150891) has the molecular formula C63H39N3 and a molecular weight of 838.03 g/mol. Its IUPAC name is 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID129150891
Molecular FormulaC63H39N3
Molecular Weight838.03 g/mol
Exact Mass837.31
IUPAC Name2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)cc2)cc1
InChIInChI=1S/C63H39N3/c1-3-15-40(16-4-1)41-27-29-43(30-28-41)62-64-61(42-17-5-2-6-18-42)65-63(66-62)48-36-46(44-31-33-57-53-23-9-7-19-49(53)51-21-11-13-25-55(51)59(57)38-44)35-47(37-48)45-32-34-58-54-24-10-8-20-50(54)52-22-12-14-26-56(52)60(58)39-45/h1-39H
InChIKeyUETCJFWEDAUUAW-UHFFFAOYSA-N
XLogP16.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2,4-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-[3-(3,5-dimethylphenyl)-5-triphenylen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 163432830
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-(3,5-diphenylphenyl)-4-(4-heptacyclo[24.8.0.02,7.08,13.014,19.020,25.027,32]tetratriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29,31,33-heptadecaenyl)-6-phenyl-1,3,5-triazine
CID 134577270
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2,4-dimethyl-6-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine
CID 130355599
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 129150891) is 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is UETCJFWEDAUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3/c1-3-15-40(16-4-1)41-27-29-43(30-28-41)62-64-61(42-17-5-2-6-18-42)65-63(66-62)48-36-46(44-31-33-57-53-23-9-7-19-49(53)51-21-11-13-25-55(51)59(57)38-44)35-47(37-48)45-32-34-58-54-24-10-8-20-50(54)52-22-12-14-26-56(52)60(58)39-45/h1-39H.
What are the key properties of 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 838.03 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 129150891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).