3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile

C34H20N4O — CID 139381460

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H20N4O/c35-21-22-10-9-15-25(20-22)26-18-19-28-27-16-7-8-17-29(27)39-31(28)30(26)34-37-32(23-11-3-1-4-12-23)36-33(38-34)24-13-5-2-6-14-24/h1-20H
InChIKeyYBNLAFOHGRMDLU-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.31
Rot. Bonds4

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

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile (PubChem CID 139381460) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
PubChem CID139381460
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H20N4O/c35-21-22-10-9-15-25(20-22)26-18-19-28-27-16-7-8-17-29(27)39-31(28)30(26)34-37-32(23-11-3-1-4-12-23)36-33(38-34)24-13-5-2-6-14-24/h1-20H
InChIKeyYBNLAFOHGRMDLU-UHFFFAOYSA-N
XLogP8.31
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381584
3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381434
4-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381456
2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 158961174
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile
CID 139381776
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713
9,9-dimethyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]fluorene-2-carbonitrile;3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile;4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-pyridinyl]benzonitrile
CID 162174559
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
4-[4-[4-[4-[8-[3-[4-[4-[3-(4-cyanophenyl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381615
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile (CID 139381460) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(oc4ccccc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile?
The InChIKey is YBNLAFOHGRMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c35-21-22-10-9-15-25(20-22)26-18-19-28-27-16-7-8-17-29(27)39-31(28)30(26)34-37-32(23-11-3-1-4-12-23)36-33(38-34)24-13-5-2-6-14-24/h1-20H.
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile has a molecular weight of 500.56 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile is sourced from PubChem (CID 139381460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).