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

C54H32N6OS — CID 153289598

IUPAC2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)ccc5sc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N6OS/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)46-41(31-32-45-47(46)40-22-11-13-26-44(40)62-45)53-58-51(36-19-8-3-9-20-36)59-54(60-53)42-24-14-23-39-38-21-10-12-25-43(38)61-48(39)42/h1-32H
InChIKeyPEMIKELWAQFMJM-UHFFFAOYSA-N
MW812.96 g/mol
LogP13.99
Rot. Bonds7

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

2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine (PubChem CID 153289598) has the molecular formula C54H32N6OS and a molecular weight of 812.96 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
PubChem CID153289598
Molecular FormulaC54H32N6OS
Molecular Weight812.96 g/mol
Exact Mass812.24
IUPAC Name2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)ccc5sc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N6OS/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)46-41(31-32-45-47(46)40-22-11-13-26-44(40)62-45)53-58-51(36-19-8-3-9-20-36)59-54(60-53)42-24-14-23-39-38-21-10-12-25-43(38)61-48(39)42/h1-32H
InChIKeyPEMIKELWAQFMJM-UHFFFAOYSA-N
XLogP13.99
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.96
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-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-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2-(2-dibenzofuran-4-yl-6-dibenzothiophen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402570
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine (CID 153289598) is 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)ccc5sc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is PEMIKELWAQFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6OS/c1-4-15-34(16-5-1)49-55-50(35-17-6-2-7-18-35)57-52(56-49)37-29-27-33(28-30-37)46-41(31-32-45-47(46)40-22-11-13-26-44(40)62-45)53-58-51(36-19-8-3-9-20-36)59-54(60-53)42-24-14-23-39-38-21-10-12-25-43(38)61-48(39)42/h1-32H.
What are the key properties of 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 812.96 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 153289598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).