2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile

C30H20N4 — CID 155068000

IUPAC2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
SMILESC=Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1C#N
InChIInChI=1S/C30H20N4/c1-2-21-19-26(17-18-27(21)20-31)30-33-28(24-11-7-4-8-12-24)32-29(34-30)25-15-13-23(14-16-25)22-9-5-3-6-10-22/h2-19H,1H2
InChIKeyBVJRSTCUGAHITB-UHFFFAOYSA-N
MW436.52 g/mol
LogP7.05
Rot. Bonds5

About 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile

2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 155068000) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID155068000
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
SMILESC=Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1C#N
InChIInChI=1S/C30H20N4/c1-2-21-19-26(17-18-27(21)20-31)30-33-28(24-11-7-4-8-12-24)32-29(34-30)25-15-13-23(14-16-25)22-9-5-3-6-10-22/h2-19H,1H2
InChIKeyBVJRSTCUGAHITB-UHFFFAOYSA-N
XLogP7.05
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170299760
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile (CID 155068000) is 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile is C=Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)ccc1C#N.
What is the InChIKey of 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is BVJRSTCUGAHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-2-21-19-26(17-18-27(21)20-31)30-33-28(24-11-7-4-8-12-24)32-29(34-30)25-15-13-23(14-16-25)22-9-5-3-6-10-22/h2-19H,1H2.
What are the key properties of 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 436.52 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 155068000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).