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

C26H14Br2N4 — CID 155195876

IUPAC4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C26H14Br2N4/c27-22-12-21(13-23(28)14-22)26-31-24(18-7-5-16(15-29)6-8-18)30-25(32-26)20-10-9-17-3-1-2-4-19(17)11-20/h1-14H
InChIKeyFRDHSHWEXZWULP-UHFFFAOYSA-N
MW542.23 g/mol
LogP7.42
Rot. Bonds3

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

4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 155195876) has the molecular formula C26H14Br2N4 and a molecular weight of 542.23 g/mol. Its IUPAC name is 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID155195876
Molecular FormulaC26H14Br2N4
Molecular Weight542.23 g/mol
Exact Mass539.96
IUPAC Name4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C26H14Br2N4/c27-22-12-21(13-23(28)14-22)26-31-24(18-7-5-16(15-29)6-8-18)30-25(32-26)20-10-9-17-3-1-2-4-19(17)11-20/h1-14H
InChIKeyFRDHSHWEXZWULP-UHFFFAOYSA-N
XLogP7.42
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.23
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
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-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
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-[6-[4-(2,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297433
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
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
4-[3-[4-(2,3-dinaphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297263
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile (CID 155195876) is 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3cc(Br)cc(Br)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is FRDHSHWEXZWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Br2N4/c27-22-12-21(13-23(28)14-22)26-31-24(18-7-5-16(15-29)6-8-18)30-25(32-26)20-10-9-17-3-1-2-4-19(17)11-20/h1-14H.
What are the key properties of 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile?
4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 542.23 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 155195876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).