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

C40H27N5 — CID 59273767

IUPAC2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H27N5/c1-26-25-28(38-43-39(34-19-9-11-23-41-34)45-40(44-38)35-20-10-12-24-42-35)21-22-29(26)37-32-17-7-5-15-30(32)36(27-13-3-2-4-14-27)31-16-6-8-18-33(31)37/h2-25H,1H3
InChIKeyZDRYFAVUDMWHLR-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.61
Rot. Bonds5

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

2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 59273767) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID59273767
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H27N5/c1-26-25-28(38-43-39(34-19-9-11-23-41-34)45-40(44-38)35-20-10-12-24-42-35)21-22-29(26)37-32-17-7-5-15-30(32)36(27-13-3-2-4-14-27)31-16-6-8-18-33(31)37/h2-25H,1H3
InChIKeyZDRYFAVUDMWHLR-UHFFFAOYSA-N
XLogP9.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 59273767) is 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)ccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is ZDRYFAVUDMWHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-26-25-28(38-43-39(34-19-9-11-23-41-34)45-40(44-38)35-20-10-12-24-42-35)21-22-29(26)37-32-17-7-5-15-30(32)36(27-13-3-2-4-14-27)31-16-6-8-18-33(31)37/h2-25H,1H3.
What are the key properties of 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(10-phenylanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 59273767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).