2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine

C28H17N3OS — CID 155603268

IUPAC2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C28H17N3OS/c1-16-29-27(21-12-6-10-19-17-8-2-4-14-23(17)32-25(19)21)31-28(30-16)22-13-7-11-20-18-9-3-5-15-24(18)33-26(20)22/h2-15H,1H3
InChIKeyUCCNONFJPSSEKP-UHFFFAOYSA-N
MW443.53 g/mol
LogP7.78
Rot. Bonds2

About 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine (PubChem CID 155603268) has the molecular formula C28H17N3OS and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
PubChem CID155603268
Molecular FormulaC28H17N3OS
Molecular Weight443.53 g/mol
Exact Mass443.11
IUPAC Name2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C28H17N3OS/c1-16-29-27(21-12-6-10-19-17-8-2-4-14-23(17)32-25(19)21)31-28(30-16)22-13-7-11-20-18-9-3-5-15-24(18)33-26(20)22/h2-15H,1H3
InChIKeyUCCNONFJPSSEKP-UHFFFAOYSA-N
XLogP7.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341
2-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 165160132
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131595
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
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
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
CID 165160159

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine (CID 155603268) is 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine is Cc1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine?
The InChIKey is UCCNONFJPSSEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3OS/c1-16-29-27(21-12-6-10-19-17-8-2-4-14-23(17)32-25(19)21)31-28(30-16)22-13-7-11-20-18-9-3-5-15-24(18)33-26(20)22/h2-15H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine has a molecular weight of 443.53 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine is sourced from PubChem (CID 155603268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).