3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane

C53H44N4 — CID 145448508

IUPAC3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane
SMILESCC.CC.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc2c1-c1cc(C#N)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C49H32N4.2C2H6/c1-32-26-45(35-21-23-38(24-22-35)49-52-47(36-13-4-2-5-14-36)51-48(53-49)37-15-6-3-7-16-37)43-18-10-11-19-44(43)46(32)42-28-33(31-50)27-41(30-42)40-25-20-34-12-8-9-17-39(34)29-40;2*1-2/h2-30H,1H3;2*1-2H3
InChIKeyXPRNCZTYHUFXEP-UHFFFAOYSA-N
MW736.96 g/mol
LogP14.41
Rot. Bonds6

About 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane (PubChem CID 145448508) has the molecular formula C53H44N4 and a molecular weight of 736.96 g/mol. Its IUPAC name is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane.

Molecular Properties

Compound Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane
PubChem CID145448508
Molecular FormulaC53H44N4
Molecular Weight736.96 g/mol
Exact Mass736.36
IUPAC Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane
SMILESCC.CC.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc2c1-c1cc(C#N)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C49H32N4.2C2H6/c1-32-26-45(35-21-23-38(24-22-35)49-52-47(36-13-4-2-5-14-36)51-48(53-49)37-15-6-3-7-16-37)43-18-10-11-19-44(43)46(32)42-28-33(31-50)27-41(30-42)40-25-20-34-12-8-9-17-39(34)29-40;2*1-2/h2-30H,1H3;2*1-2H3
InChIKeyXPRNCZTYHUFXEP-UHFFFAOYSA-N
XLogP14.41
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane 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

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-(4-methylphenyl)benzonitrile
CID 145448507
5-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzene-1,3-dicarbonitrile
CID 134320433
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 137468913
3-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 169297144
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[3-[4-(2,3-dinaphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane?
The IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane (CID 145448508) is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane.
What is the SMILES notation for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane?
The canonical SMILES for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane is CC.CC.Cc1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc2c1-c1cc(C#N)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane?
The InChIKey is XPRNCZTYHUFXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4.2C2H6/c1-32-26-45(35-21-23-38(24-22-35)49-52-47(36-13-4-2-5-14-36)51-48(53-49)37-15-6-3-7-16-37)43-18-10-11-19-44(43)46(32)42-28-33(31-50)27-41(30-42)40-25-20-34-12-8-9-17-39(34)29-40;2*1-2/h2-30H,1H3;2*1-2H3.
What are the key properties of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane?
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane has a molecular weight of 736.96 g/mol, XLogP of 14.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylnaphthalen-1-yl]-5-naphthalen-2-ylbenzonitrile;ethane is sourced from PubChem (CID 145448508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).