2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C21H12ClN3O — CID 153288146

IUPAC2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccc4oc5ccccc5c4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H/i1D,2D,3D,6D,7D
InChIKeySHXRJHODWWVKAQ-FSTBWYLISA-N
MW362.83 g/mol
LogP5.76
Rot. Bonds2

About 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 153288146) has the molecular formula C21H12ClN3O and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID153288146
Molecular FormulaC21H12ClN3O
Molecular Weight362.83 g/mol
Exact Mass362.10
IUPAC Name2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccc4oc5ccccc5c4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H/i1D,2D,3D,6D,7D
InChIKeySHXRJHODWWVKAQ-FSTBWYLISA-N
XLogP5.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.83
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163512941
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 168769734
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163634293
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171587104
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168769693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 153288146) is 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccc4oc5ccccc5c4c3)n2)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is SHXRJHODWWVKAQ-FSTBWYLISA-N. The full InChI is InChI=1S/C21H12ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H/i1D,2D,3D,6D,7D.
What are the key properties of 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 362.83 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 153288146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).