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

C28H17N3O2 — CID 118888311

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C28H17N3O2/c1-16-29-27(17-13-14-24-21(15-17)18-7-2-4-10-22(18)32-24)31-28(30-16)20-9-6-12-25-26(20)19-8-3-5-11-23(19)33-25/h2-15H,1H3
InChIKeyHKUJTPJZBLBZLH-UHFFFAOYSA-N
MW427.46 g/mol
LogP7.31
Rot. Bonds2

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

2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine (PubChem CID 118888311) has the molecular formula C28H17N3O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
PubChem CID118888311
Molecular FormulaC28H17N3O2
Molecular Weight427.46 g/mol
Exact Mass427.13
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C28H17N3O2/c1-16-29-27(17-13-14-24-21(15-17)18-7-2-4-10-22(18)32-24)31-28(30-16)20-9-6-12-25-26(20)19-8-3-5-11-23(19)33-25/h2-15H,1H3
InChIKeyHKUJTPJZBLBZLH-UHFFFAOYSA-N
XLogP7.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
CID 168908516
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112743
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine (CID 118888311) is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine is Cc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine?
The InChIKey is HKUJTPJZBLBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3O2/c1-16-29-27(17-13-14-24-21(15-17)18-7-2-4-10-22(18)32-24)31-28(30-16)20-9-6-12-25-26(20)19-8-3-5-11-23(19)33-25/h2-15H,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine has a molecular weight of 427.46 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine is sourced from PubChem (CID 118888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).