7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile

C28H16N4O — CID 139522762

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C28H16N4O/c29-17-18-11-13-22-23-14-12-21(16-25(23)33-24(22)15-18)28-31-26(19-7-3-1-4-8-19)30-27(32-28)20-9-5-2-6-10-20/h1-16H
InChIKeyAJRSYKMHCUDWAJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP6.64
Rot. Bonds3

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile

7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 139522762) has the molecular formula C28H16N4O and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
PubChem CID139522762
Molecular FormulaC28H16N4O
Molecular Weight424.46 g/mol
Exact Mass424.13
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C28H16N4O/c29-17-18-11-13-22-23-14-12-21(16-25(23)33-24(22)15-18)28-31-26(19-7-3-1-4-8-19)30-27(32-28)20-9-5-2-6-10-20/h1-16H
InChIKeyAJRSYKMHCUDWAJ-UHFFFAOYSA-N
XLogP6.64
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 169048828
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
7-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 138736824
4-[4-[4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774590
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
3-[4-[4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774923
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile (CID 139522762) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is N#Cc1ccc2c(c1)oc1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc12.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is AJRSYKMHCUDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N4O/c29-17-18-11-13-22-23-14-12-21(16-25(23)33-24(22)15-18)28-31-26(19-7-3-1-4-8-19)30-27(32-28)20-9-5-2-6-10-20/h1-16H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile has a molecular weight of 424.46 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 139522762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).