2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

C58H39N5 — CID 58233340

IUPAC2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccccc1-c1c2ccc(-c3ccccc3-c3ccccc3)cc2c(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c2ccc(-c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C58H39N5/c1-38-18-8-9-23-43(38)54-48-32-30-42(47-27-13-11-25-45(47)40-21-6-3-7-22-40)37-51(48)55(58-62-56(52-28-14-16-34-59-52)61-57(63-58)53-29-15-17-35-60-53)49-33-31-41(36-50(49)54)46-26-12-10-24-44(46)39-19-4-2-5-20-39/h2-37H,1H3
InChIKeyQZFHKUMKYNFZLQ-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.61
Rot. Bonds8

About 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58233340) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58233340
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCc1ccccc1-c1c2ccc(-c3ccccc3-c3ccccc3)cc2c(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c2ccc(-c3ccccc3-c3ccccc3)cc12
InChIInChI=1S/C58H39N5/c1-38-18-8-9-23-43(38)54-48-32-30-42(47-27-13-11-25-45(47)40-21-6-3-7-22-40)37-51(48)55(58-62-56(52-28-14-16-34-59-52)61-57(63-58)53-29-15-17-35-60-53)49-33-31-41(36-50(49)54)46-26-12-10-24-44(46)39-19-4-2-5-20-39/h2-37H,1H3
InChIKeyQZFHKUMKYNFZLQ-UHFFFAOYSA-N
XLogP14.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58233340) is 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is Cc1ccccc1-c1c2ccc(-c3ccccc3-c3ccccc3)cc2c(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c2ccc(-c3ccccc3-c3ccccc3)cc12.
What is the InChIKey of 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is QZFHKUMKYNFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-38-18-8-9-23-43(38)54-48-32-30-42(47-27-13-11-25-45(47)40-21-6-3-7-22-40)37-51(48)55(58-62-56(52-28-14-16-34-59-52)61-57(63-58)53-29-15-17-35-60-53)49-33-31-41(36-50(49)54)46-26-12-10-24-44(46)39-19-4-2-5-20-39/h2-37H,1H3.
What are the key properties of 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 805.99 g/mol, XLogP of 14.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-methylphenyl)-2,6-bis(2-phenylphenyl)anthracen-9-yl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).