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

C45H27N3 — CID 59336460

IUPAC2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4c5ccccc5cc5ccccc45)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1
InChIInChI=1S/C45H27N3/c1-7-19-34-28(13-1)25-29-14-2-8-20-35(29)40(34)43-46-44(41-36-21-9-3-15-30(36)26-31-16-4-10-22-37(31)41)48-45(47-43)42-38-23-11-5-17-32(38)27-33-18-6-12-24-39(33)42/h1-27H
InChIKeyUTGQFUPIPBRAFE-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.79
Rot. Bonds3

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

2,4,6-tri(anthracen-9-yl)-1,3,5-triazine (PubChem CID 59336460) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
PubChem CID59336460
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
SMILESc1ccc2c(-c3nc(-c4c5ccccc5cc5ccccc45)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1
InChIInChI=1S/C45H27N3/c1-7-19-34-28(13-1)25-29-14-2-8-20-35(29)40(34)43-46-44(41-36-21-9-3-15-30(36)26-31-16-4-10-22-37(31)41)48-45(47-43)42-38-23-11-5-17-32(38)27-33-18-6-12-24-39(33)42/h1-27H
InChIKeyUTGQFUPIPBRAFE-UHFFFAOYSA-N
XLogP11.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
CID 131973884
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153465963
9-anthracen-9-ylanthracene;toluene
CID 86148014
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylbenzo[a]tetracen-13-yl]-4,6-diphenyl-1,3,5-triazine
CID 89177922
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
2-anthracen-9-yl-6-methylpyridine
CID 144659337
3-anthracen-9-yl-1,2-oxazole
CID 154733107
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine (CID 59336460) is 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine is c1ccc2c(-c3nc(-c4c5ccccc5cc5ccccc45)nc(-c4c5ccccc5cc5ccccc45)n3)c3ccccc3cc2c1.
What is the InChIKey of 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine?
The InChIKey is UTGQFUPIPBRAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-7-19-34-28(13-1)25-29-14-2-8-20-35(29)40(34)43-46-44(41-36-21-9-3-15-30(36)26-31-16-4-10-22-37(31)41)48-45(47-43)42-38-23-11-5-17-32(38)27-33-18-6-12-24-39(33)42/h1-27H.
What are the key properties of 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine?
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine has a molecular weight of 609.73 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(anthracen-9-yl)-1,3,5-triazine is sourced from PubChem (CID 59336460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).