2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine

C28H16ClN3O — CID 156530666

IUPAC2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)Cc2ccccc2-3)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C28H16ClN3O/c29-28-31-26(17-9-11-21-19(14-17)13-16-5-1-2-6-20(16)21)30-27(32-28)18-10-12-23-22-7-3-4-8-24(22)33-25(23)15-18/h1-12,14-15H,13H2
InChIKeyWTHQMFODQDROAA-UHFFFAOYSA-N
MW445.91 g/mol
LogP7.33
Rot. Bonds2

About 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine

2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine (PubChem CID 156530666) has the molecular formula C28H16ClN3O and a molecular weight of 445.91 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine
PubChem CID156530666
Molecular FormulaC28H16ClN3O
Molecular Weight445.91 g/mol
Exact Mass445.10
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)Cc2ccccc2-3)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C28H16ClN3O/c29-28-31-26(17-9-11-21-19(14-17)13-16-5-1-2-6-20(16)21)30-27(32-28)18-10-12-23-22-7-3-4-8-24(22)33-25(23)15-18/h1-12,14-15H,13H2
InChIKeyWTHQMFODQDROAA-UHFFFAOYSA-N
XLogP7.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 142555468
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716
2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775
2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845166
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine (CID 156530666) is 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3c(c2)Cc2ccccc2-3)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine?
The InChIKey is WTHQMFODQDROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16ClN3O/c29-28-31-26(17-9-11-21-19(14-17)13-16-5-1-2-6-20(16)21)30-27(32-28)18-10-12-23-22-7-3-4-8-24(22)33-25(23)15-18/h1-12,14-15H,13H2.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine has a molecular weight of 445.91 g/mol, XLogP of 7.33, 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-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 156530666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).