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

C26H15BrN4 — CID 166031234

IUPAC4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Br)c4ccccc34)n2)cc1
InChIInChI=1S/C26H15BrN4/c27-23-15-14-22(20-8-4-5-9-21(20)23)26-30-24(18-6-2-1-3-7-18)29-25(31-26)19-12-10-17(16-28)11-13-19/h1-15H
InChIKeyHYIWSJRUFWCCJD-UHFFFAOYSA-N
MW463.34 g/mol
LogP6.66
Rot. Bonds3

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

4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 166031234) has the molecular formula C26H15BrN4 and a molecular weight of 463.34 g/mol. Its IUPAC name is 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID166031234
Molecular FormulaC26H15BrN4
Molecular Weight463.34 g/mol
Exact Mass462.05
IUPAC Name4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Br)c4ccccc34)n2)cc1
InChIInChI=1S/C26H15BrN4/c27-23-15-14-22(20-8-4-5-9-21(20)23)26-30-24(18-6-2-1-3-7-18)29-25(31-26)19-12-10-17(16-28)11-13-19/h1-15H
InChIKeyHYIWSJRUFWCCJD-UHFFFAOYSA-N
XLogP6.66
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 138750094
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 168801574
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-[4-(2-phenylphenyl)-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 156547530
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146481095
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 159327927
2-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 167410861
4-[6-[4-(2,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 169297433
3-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 165013050

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 166031234) is 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Br)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is HYIWSJRUFWCCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrN4/c27-23-15-14-22(20-8-4-5-9-21(20)23)26-30-24(18-6-2-1-3-7-18)29-25(31-26)19-12-10-17(16-28)11-13-19/h1-15H.
What are the key properties of 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 463.34 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 166031234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).