2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine

C45H27N3OS — CID 171402609

IUPAC2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)36-23-20-30(31-19-22-35-34-16-8-10-18-41(34)50-42(35)27-31)25-37(36)32-21-24-40-38(26-32)33-15-7-9-17-39(33)49-40/h1-27H
InChIKeyRTJVCXGJXIKBLF-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171402609) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171402609
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)36-23-20-30(31-19-22-35-34-16-8-10-18-41(34)50-42(35)27-31)25-37(36)32-21-24-40-38(26-32)33-15-7-9-17-39(33)49-40/h1-27H
InChIKeyRTJVCXGJXIKBLF-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-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-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496603
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-dibenzofuran-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624493
2-(3-dibenzofuran-3-yl-4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509581
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171402609) is 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RTJVCXGJXIKBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)36-23-20-30(31-19-22-35-34-16-8-10-18-41(34)50-42(35)27-31)25-37(36)32-21-24-40-38(26-32)33-15-7-9-17-39(33)49-40/h1-27H.
What are the key properties of 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171402609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).