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

C59H39N3 — CID 138548274

IUPAC2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C59H39N3/c1-5-18-41(19-6-1)55(42-20-7-2-8-21-42)56(43-22-9-3-10-23-43)47-27-17-26-46(38-47)40-32-34-45(35-33-40)58-60-57(44-24-11-4-12-25-44)61-59(62-58)48-36-37-53-51-30-14-13-28-49(51)50-29-15-16-31-52(50)54(53)39-48/h1-39H
InChIKeyNDOSJHGXTNGUFH-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.01
Rot. Bonds8

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

2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 138548274) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID138548274
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C59H39N3/c1-5-18-41(19-6-1)55(42-20-7-2-8-21-42)56(43-22-9-3-10-23-43)47-27-17-26-46(38-47)40-32-34-45(35-33-40)58-60-57(44-24-11-4-12-25-44)61-59(62-58)48-36-37-53-51-30-14-13-28-49(51)50-29-15-16-31-52(50)54(53)39-48/h1-39H
InChIKeyNDOSJHGXTNGUFH-UHFFFAOYSA-N
XLogP15.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,2,2-triphenylethenyl)phenyl]triphenylene
CID 58472030
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-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
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-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine
CID 138548371
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
CID 159669844
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine (CID 138548274) is 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(C(=C(c2ccccc2)c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)cc3)c2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is NDOSJHGXTNGUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-5-18-41(19-6-1)55(42-20-7-2-8-21-42)56(43-22-9-3-10-23-43)47-27-17-26-46(38-47)40-32-34-45(35-33-40)58-60-57(44-24-11-4-12-25-44)61-59(62-58)48-36-37-53-51-30-14-13-28-49(51)50-29-15-16-31-52(50)54(53)39-48/h1-39H.
What are the key properties of 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine?
2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 789.98 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 138548274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).