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

C27H14ClN3O2 — CID 155758027

IUPAC2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C27H14ClN3O2/c28-27-30-25(15-12-13-23-20(14-15)17-7-2-3-10-21(17)32-23)29-26(31-27)19-9-5-8-18-16-6-1-4-11-22(16)33-24(18)19/h1-14H
InChIKeyRHYVWBLVQNSEOT-UHFFFAOYSA-N
MW447.88 g/mol
LogP7.66
Rot. Bonds2

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

2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine (PubChem CID 155758027) has the molecular formula C27H14ClN3O2 and a molecular weight of 447.88 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
PubChem CID155758027
Molecular FormulaC27H14ClN3O2
Molecular Weight447.88 g/mol
Exact Mass447.08
IUPAC Name2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C27H14ClN3O2/c28-27-30-25(15-12-13-23-20(14-15)17-7-2-3-10-21(17)32-23)29-26(31-27)19-9-5-8-18-16-6-1-4-11-22(16)33-24(18)19/h1-14H
InChIKeyRHYVWBLVQNSEOT-UHFFFAOYSA-N
XLogP7.66
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.88
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 169278916
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
CID 169278824
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(4-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278757
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845152
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine (CID 155758027) is 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine is Clc1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The InChIKey is RHYVWBLVQNSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14ClN3O2/c28-27-30-25(15-12-13-23-20(14-15)17-7-2-3-10-21(17)32-23)29-26(31-27)19-9-5-8-18-16-6-1-4-11-22(16)33-24(18)19/h1-14H.
What are the key properties of 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine has a molecular weight of 447.88 g/mol, XLogP of 7.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine is sourced from PubChem (CID 155758027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).