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

C56H36N4 — CID 169297341

IUPAC4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccccc6)c5-c5ccc6ccccc6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C56H36N4/c57-37-38-18-20-41(21-19-38)43-24-31-47(32-25-43)55-58-54(46-29-22-42(23-30-46)39-10-3-1-4-11-39)59-56(60-55)48-33-27-45(28-34-48)52-17-9-16-51(44-13-5-2-6-14-44)53(52)50-35-26-40-12-7-8-15-49(40)36-50/h1-36H
InChIKeyKGILWMMOWGXOAM-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.23
Rot. Bonds8

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

4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 169297341) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID169297341
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccccc6)c5-c5ccc6ccccc6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C56H36N4/c57-37-38-18-20-41(21-19-38)43-24-31-47(32-25-43)55-58-54(46-29-22-42(23-30-46)39-10-3-1-4-11-39)59-56(60-55)48-33-27-45(28-34-48)52-17-9-16-51(44-13-5-2-6-14-44)53(52)50-35-26-40-12-7-8-15-49(40)36-50/h1-36H
InChIKeyKGILWMMOWGXOAM-UHFFFAOYSA-N
XLogP14.23
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 169297144
4-[3-[4-(2,3-dinaphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297263
4-[4-[4-[4-(2,3-diphenylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297243
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 138750105
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
4-[6-[4-(2-naphthalen-2-yl-5-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297272
4-[6-[4-(2,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297433
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 159152181
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 169297341) is 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccccc6)c5-c5ccc6ccccc6c5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is KGILWMMOWGXOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c57-37-38-18-20-41(21-19-38)43-24-31-47(32-25-43)55-58-54(46-29-22-42(23-30-46)39-10-3-1-4-11-39)59-56(60-55)48-33-27-45(28-34-48)52-17-9-16-51(44-13-5-2-6-14-44)53(52)50-35-26-40-12-7-8-15-49(40)36-50/h1-36H.
What are the key properties of 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile?
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 764.93 g/mol, XLogP of 14.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 169297341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).