2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine

C59H39N5 — CID 58526504

IUPAC2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C59H39N5/c1-3-13-40(14-4-1)49-34-51(43-21-26-45(27-22-43)55-19-9-11-31-60-55)38-53(36-49)58-62-57(48-30-25-42-17-7-8-18-47(42)33-48)63-59(64-58)54-37-50(41-15-5-2-6-16-41)35-52(39-54)44-23-28-46(29-24-44)56-20-10-12-32-61-56/h1-39H
InChIKeyASUBYICFJYRELD-UHFFFAOYSA-N
MW818.00 g/mol
LogP14.82
Rot. Bonds9

About 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine

2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 58526504) has the molecular formula C59H39N5 and a molecular weight of 818.00 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID58526504
Molecular FormulaC59H39N5
Molecular Weight818.00 g/mol
Exact Mass817.32
IUPAC Name2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C59H39N5/c1-3-13-40(14-4-1)49-34-51(43-21-26-45(27-22-43)55-19-9-11-31-60-55)38-53(36-49)58-62-57(48-30-25-42-17-7-8-18-47(42)33-48)63-59(64-58)54-37-50(41-15-5-2-6-16-41)35-52(39-54)44-23-28-46(29-24-44)56-20-10-12-32-61-56/h1-39H
InChIKeyASUBYICFJYRELD-UHFFFAOYSA-N
XLogP14.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.00
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine (CID 58526504) is 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is ASUBYICFJYRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5/c1-3-13-40(14-4-1)49-34-51(43-21-26-45(27-22-43)55-19-9-11-31-60-55)38-53(36-49)58-62-57(48-30-25-42-17-7-8-18-47(42)33-48)63-59(64-58)54-37-50(41-15-5-2-6-16-41)35-52(39-54)44-23-28-46(29-24-44)56-20-10-12-32-61-56/h1-39H.
What are the key properties of 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 818.00 g/mol, XLogP of 14.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 58526504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).