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

C40H24N4O — CID 139381584

IUPAC3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C40H24N4O/c41-25-26-10-9-15-31(24-26)27-18-20-28(21-19-27)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-11-3-1-4-12-29)42-39(44-40)30-13-5-2-6-14-30/h1-24H
InChIKeyZRDVIKGZWUJACJ-UHFFFAOYSA-N
MW576.66 g/mol
LogP9.98
Rot. Bonds5

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

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (PubChem CID 139381584) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
PubChem CID139381584
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C40H24N4O/c41-25-26-10-9-15-31(24-26)27-18-20-28(21-19-27)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-11-3-1-4-12-29)42-39(44-40)30-13-5-2-6-14-30/h1-24H
InChIKeyZRDVIKGZWUJACJ-UHFFFAOYSA-N
XLogP9.98
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 139381434
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
CID 139381460
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-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
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile
CID 139381776
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-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
3-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]benzonitrile
CID 164785022
3-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 177112707
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-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile (CID 139381584) is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3ccc4c(oc5ccccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
The InChIKey is ZRDVIKGZWUJACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c41-25-26-10-9-15-31(24-26)27-18-20-28(21-19-27)32-22-23-34-33-16-7-8-17-35(33)45-37(34)36(32)40-43-38(29-11-3-1-4-12-29)42-39(44-40)30-13-5-2-6-14-30/h1-24H.
What are the key properties of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile?
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile has a molecular weight of 576.66 g/mol, XLogP of 9.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 139381584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).