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

C49H29N7O — CID 169296957

IUPAC4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H29N7O/c50-30-40-38(48-53-44(31-16-5-1-6-17-31)51-45(54-48)32-18-7-2-8-19-32)28-35(36-25-15-27-42-43(36)37-24-13-14-26-41(37)57-42)29-39(40)49-55-46(33-20-9-3-10-21-33)52-47(56-49)34-22-11-4-12-23-34/h1-29H
InChIKeyNPGQRLATOJWXMX-UHFFFAOYSA-N
MW731.82 g/mol
LogP11.50
Rot. Bonds7

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

4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 169296957) has the molecular formula C49H29N7O and a molecular weight of 731.82 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID169296957
Molecular FormulaC49H29N7O
Molecular Weight731.82 g/mol
Exact Mass731.24
IUPAC Name4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C49H29N7O/c50-30-40-38(48-53-44(31-16-5-1-6-17-31)51-45(54-48)32-18-7-2-8-19-32)28-35(36-25-15-27-42-43(36)37-24-13-14-26-41(37)57-42)29-39(40)49-55-46(33-20-9-3-10-21-33)52-47(56-49)34-22-11-4-12-23-34/h1-29H
InChIKeyNPGQRLATOJWXMX-UHFFFAOYSA-N
XLogP11.50
TPSA114.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)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

2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
3-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 177112707
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 169296957) is 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cccc3oc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is NPGQRLATOJWXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7O/c50-30-40-38(48-53-44(31-16-5-1-6-17-31)51-45(54-48)32-18-7-2-8-19-32)28-35(36-25-15-27-42-43(36)37-24-13-14-26-41(37)57-42)29-39(40)49-55-46(33-20-9-3-10-21-33)52-47(56-49)34-22-11-4-12-23-34/h1-29H.
What are the key properties of 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 731.82 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 169296957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).