N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine

C41H28N4 — CID 154988542

IUPACN-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine
SMILESC=N/C=C\c1cc(-c2nc(-c3ccc4cc5ccccc5cc4c3)nc(-c3ccc4cc5ccccc5cc4c3)n2)ccc1C
InChIInChI=1S/C41H28N4/c1-26-11-12-34(19-27(26)17-18-42-2)39-43-40(35-15-13-32-20-28-7-3-5-9-30(28)22-37(32)24-35)45-41(44-39)36-16-14-33-21-29-8-4-6-10-31(29)23-38(33)25-36/h3-25H,2H2,1H3/b18-17-
InChIKeyBAORABUQRZNSNB-ZCXUNETKSA-N
MW576.70 g/mol
LogP10.47
Rot. Bonds5

About N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine

N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine (PubChem CID 154988542) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine
PubChem CID154988542
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC NameN-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine
SMILESC=N/C=C\c1cc(-c2nc(-c3ccc4cc5ccccc5cc4c3)nc(-c3ccc4cc5ccccc5cc4c3)n2)ccc1C
InChIInChI=1S/C41H28N4/c1-26-11-12-34(19-27(26)17-18-42-2)39-43-40(35-15-13-32-20-28-7-3-5-9-30(28)22-37(32)24-35)45-41(44-39)36-16-14-33-21-29-8-4-6-10-31(29)23-38(33)25-36/h3-25H,2H2,1H3/b18-17-
InChIKeyBAORABUQRZNSNB-ZCXUNETKSA-N
XLogP10.47
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine 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

8-[4-[4-[3-[(1Z)-buta-1,3-dienyl]-4-methylphenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130358719
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-anthracen-2-yl-4,6-diiodopyrimidine
CID 154599086
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076797
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine (CID 154988542) is N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine is C=N/C=C\c1cc(-c2nc(-c3ccc4cc5ccccc5cc4c3)nc(-c3ccc4cc5ccccc5cc4c3)n2)ccc1C.
What is the InChIKey of N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine?
The InChIKey is BAORABUQRZNSNB-ZCXUNETKSA-N. The full InChI is InChI=1S/C41H28N4/c1-26-11-12-34(19-27(26)17-18-42-2)39-43-40(35-15-13-32-20-28-7-3-5-9-30(28)22-37(32)24-35)45-41(44-39)36-16-14-33-21-29-8-4-6-10-31(29)23-38(33)25-36/h3-25H,2H2,1H3/b18-17-.
What are the key properties of N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine?
N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine has a molecular weight of 576.70 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[5-[4,6-di(anthracen-2-yl)-1,3,5-triazin-2-yl]-2-methylphenyl]ethenyl]methanimine is sourced from PubChem (CID 154988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).