2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

C52H32N10 — CID 58233404

IUPAC2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccn7)nc(-c7ccccn7)n6)cc5)c5ccccc45)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C52H32N10/c1-2-14-38-37(13-1)45(33-21-25-35(26-22-33)47-57-49(41-17-5-9-29-53-41)61-50(58-47)42-18-6-10-30-54-42)39-15-3-4-16-40(39)46(38)34-23-27-36(28-24-34)48-59-51(43-19-7-11-31-55-43)62-52(60-48)44-20-8-12-32-56-44/h1-32H
InChIKeyLGOKKZBUOOYXKO-UHFFFAOYSA-N
MW796.90 g/mol
LogP11.28
Rot. Bonds8

About 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58233404) has the molecular formula C52H32N10 and a molecular weight of 796.90 g/mol. Its IUPAC name is 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58233404
Molecular FormulaC52H32N10
Molecular Weight796.90 g/mol
Exact Mass796.28
IUPAC Name2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccn7)nc(-c7ccccn7)n6)cc5)c5ccccc45)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C52H32N10/c1-2-14-38-37(13-1)45(33-21-25-35(26-22-33)47-57-49(41-17-5-9-29-53-41)61-50(58-47)42-18-6-10-30-54-42)39-15-3-4-16-40(39)46(38)34-23-27-36(28-24-34)48-59-51(43-19-7-11-31-55-43)62-52(60-48)44-20-8-12-32-56-44/h1-32H
InChIKeyLGOKKZBUOOYXKO-UHFFFAOYSA-N
XLogP11.28
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.90
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58233404) is 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc(-c7ccccn7)nc(-c7ccccn7)n6)cc5)c5ccccc45)cc3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is LGOKKZBUOOYXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N10/c1-2-14-38-37(13-1)45(33-21-25-35(26-22-33)47-57-49(41-17-5-9-29-53-41)61-50(58-47)42-18-6-10-30-54-42)39-15-3-4-16-40(39)46(38)34-23-27-36(28-24-34)48-59-51(43-19-7-11-31-55-43)62-52(60-48)44-20-8-12-32-56-44/h1-32H.
What are the key properties of 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 796.90 g/mol, XLogP of 11.28, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).