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

C36H24N4 — CID 174322964

IUPAC4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
SMILESN#Cc1ccc(C2N=C(c3ccccc3)NC(c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)=N2)cc1
InChIInChI=1S/C36H24N4/c37-23-24-14-16-27(17-15-24)35-38-34(26-9-2-1-3-10-26)39-36(40-35)31-21-29-12-6-7-13-32(29)33(22-31)30-19-18-25-8-4-5-11-28(25)20-30/h1-22,35H,(H,38,39,40)
InChIKeyLPLXCEXHABPWLZ-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.03
Rot. Bonds4

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

4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile (PubChem CID 174322964) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
PubChem CID174322964
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
SMILESN#Cc1ccc(C2N=C(c3ccccc3)NC(c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)=N2)cc1
InChIInChI=1S/C36H24N4/c37-23-24-14-16-27(17-15-24)35-38-34(26-9-2-1-3-10-26)39-36(40-35)31-21-29-12-6-7-13-32(29)33(22-31)30-19-18-25-8-4-5-11-28(25)20-30/h1-22,35H,(H,38,39,40)
InChIKeyLPLXCEXHABPWLZ-UHFFFAOYSA-N
XLogP8.03
TPSA60.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-[4-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 135245304
4-[2-[1-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-2-yl]phenyl]benzonitrile
CID 146646769
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile?
The IUPAC name of 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile (CID 174322964) is 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile is N#Cc1ccc(C2N=C(c3ccccc3)NC(c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)=N2)cc1.
What is the InChIKey of 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile?
The InChIKey is LPLXCEXHABPWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c37-23-24-14-16-27(17-15-24)35-38-34(26-9-2-1-3-10-26)39-36(40-35)31-21-29-12-6-7-13-32(29)33(22-31)30-19-18-25-8-4-5-11-28(25)20-30/h1-22,35H,(H,38,39,40).
What are the key properties of 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile?
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile has a molecular weight of 512.62 g/mol, XLogP of 8.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile is sourced from PubChem (CID 174322964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).