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

C32H21N3 — CID 131973884

IUPAC2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3
InChIKeyZPALFNHYCHBGDW-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.13
Rot. Bonds2

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

2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine (PubChem CID 131973884) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
PubChem CID131973884
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1
InChIInChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3
InChIKeyZPALFNHYCHBGDW-UHFFFAOYSA-N
XLogP8.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
9-anthracen-9-ylanthracene;toluene
CID 86148014
2-anthracen-9-yl-6-methylpyridine
CID 144659337
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine
CID 176843031
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
2-[3-anthracen-9-yl-5-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118895278
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057

Frequently Asked Questions

What is the IUPAC name of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine (CID 131973884) is 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine is Cc1nc(-c2c3ccccc3cc3ccccc23)nc(-c2c3ccccc3cc3ccccc23)n1.
What is the InChIKey of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
The InChIKey is ZPALFNHYCHBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-20-33-31(29-25-14-6-2-10-21(25)18-22-11-3-7-15-26(22)29)35-32(34-20)30-27-16-8-4-12-23(27)19-24-13-5-9-17-28(24)30/h2-19H,1H3.
What are the key properties of 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine?
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine has a molecular weight of 447.54 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 131973884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).