2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

C29H21N3O — CID 169131805

IUPAC2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC=Cc1nc(C2=CCCC(c3ccccc3)=C2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H21N3O/c1-2-27-30-28(21-12-8-11-20(17-21)19-9-4-3-5-10-19)32-29(31-27)22-15-16-24-23-13-6-7-14-25(23)33-26(24)18-22/h2-7,9-10,12-18H,1,8,11H2
InChIKeyKJRJSMHUFQYYQP-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.34
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (PubChem CID 169131805) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
PubChem CID169131805
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC=Cc1nc(C2=CCCC(c3ccccc3)=C2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C29H21N3O/c1-2-27-30-28(21-12-8-11-20(17-21)19-9-4-3-5-10-19)32-29(31-27)22-15-16-24-23-13-6-7-14-25(23)33-26(24)18-22/h2-7,9-10,12-18H,1,8,11H2
InChIKeyKJRJSMHUFQYYQP-UHFFFAOYSA-N
XLogP7.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(4-methylphenyl)-4-(5-phenylcyclohexa-1,5-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 144646007
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (CID 169131805) is 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is C=Cc1nc(C2=CCCC(c3ccccc3)=C2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The InChIKey is KJRJSMHUFQYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-2-27-30-28(21-12-8-11-20(17-21)19-9-4-3-5-10-19)32-29(31-27)22-15-16-24-23-13-6-7-14-25(23)33-26(24)18-22/h2-7,9-10,12-18H,1,8,11H2.
What are the key properties of 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine has a molecular weight of 427.51 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-ethenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 169131805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).