2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

C51H29N3O2S — CID 160836791

IUPAC2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc6c5sc5c(-c7ccc8oc9ccccc9c8c7)cccc56)c34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)40-24-11-23-39-45-35(19-12-26-44(45)56-46(39)40)36-20-10-22-38-37-21-9-18-33(47(37)57-48(36)38)32-27-28-43-41(29-32)34-17-7-8-25-42(34)55-43/h1-29H
InChIKeyWNNIMOWSTARKOM-UHFFFAOYSA-N
MW747.88 g/mol
LogP14.37
Rot. Bonds5

About 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160836791) has the molecular formula C51H29N3O2S and a molecular weight of 747.88 g/mol. Its IUPAC name is 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160836791
Molecular FormulaC51H29N3O2S
Molecular Weight747.88 g/mol
Exact Mass747.20
IUPAC Name2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc6c5sc5c(-c7ccc8oc9ccccc9c8c7)cccc56)c34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)40-24-11-23-39-45-35(19-12-26-44(45)56-46(39)40)36-20-10-22-38-37-21-9-18-33(47(37)57-48(36)38)32-27-28-43-41(29-32)34-17-7-8-25-42(34)55-43/h1-29H
InChIKeyWNNIMOWSTARKOM-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-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

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 161174250
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154603841
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152811481
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297

Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 160836791) is 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cccc(-c5cccc6c5sc5c(-c7ccc8oc9ccccc9c8c7)cccc56)c34)n2)cc1.
What is the InChIKey of 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WNNIMOWSTARKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)40-24-11-23-39-45-35(19-12-26-44(45)56-46(39)40)36-20-10-22-38-37-21-9-18-33(47(37)57-48(36)38)32-27-28-43-41(29-32)34-17-7-8-25-42(34)55-43/h1-29H.
What are the key properties of 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 747.88 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-dibenzofuran-2-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160836791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).