4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine

C45H29N3O — CID 166134431

IUPAC4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)cccc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-11-23-35(33)43-44(32-20-8-3-9-21-32)46-48-47-45(43)42-34(31-18-6-2-7-19-31)25-14-26-37(42)36-27-15-29-40-41(36)38-24-12-13-28-39(38)49-40/h1-29H
InChIKeyWKNMWRKLRIXOFL-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine

4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine (PubChem CID 166134431) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine.

Molecular Properties

Compound Name4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
PubChem CID166134431
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)cccc2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-11-23-35(33)43-44(32-20-8-3-9-21-32)46-48-47-45(43)42-34(31-18-6-2-7-19-31)25-14-26-37(42)36-27-15-29-40-41(36)38-24-12-13-28-39(38)49-40/h1-29H
InChIKeyWKNMWRKLRIXOFL-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine 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

4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The IUPAC name of 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine (CID 166134431) is 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine.
What is the SMILES notation for 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The canonical SMILES for 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)cccc2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The InChIKey is WKNMWRKLRIXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-16-30(17-5-1)33-22-10-11-23-35(33)43-44(32-20-8-3-9-21-32)46-48-47-45(43)42-34(31-18-6-2-7-19-31)25-14-26-37(42)36-27-15-29-40-41(36)38-24-12-13-28-39(38)49-40/h1-29H.
What are the key properties of 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine is sourced from PubChem (CID 166134431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).