2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

C33H21N5 — CID 102088203

IUPAC2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H21N5/c1-3-11-26-24(9-1)21-25-10-2-4-12-27(25)30(26)22-15-17-23(18-16-22)31-36-32(28-13-5-7-19-34-28)38-33(37-31)29-14-6-8-20-35-29/h1-21H
InChIKeyCUVKJHCMDGYZIA-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.64
Rot. Bonds4

About 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 102088203) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID102088203
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H21N5/c1-3-11-26-24(9-1)21-25-10-2-4-12-27(25)30(26)22-15-17-23(18-16-22)31-36-32(28-13-5-7-19-34-28)38-33(37-31)29-14-6-8-20-35-29/h1-21H
InChIKeyCUVKJHCMDGYZIA-UHFFFAOYSA-N
XLogP7.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 90361875
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
CID 139150015
CID 139150015
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2,4-diphenyl-6-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 165168236
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
2-(3,4-dipyridin-2-ylnaphthalen-2-yl)pyrimidine
CID 138982228
2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
CID 171732364

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (CID 102088203) is 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is CUVKJHCMDGYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-3-11-26-24(9-1)21-25-10-2-4-12-27(25)30(26)22-15-17-23(18-16-22)31-36-32(28-13-5-7-19-34-28)38-33(37-31)29-14-6-8-20-35-29/h1-21H.
What are the key properties of 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 487.57 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 102088203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).