2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine

C21H11BrClN3O — CID 164934286

IUPAC2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2cccc(Br)c23)n1
InChIInChI=1S/C21H11BrClN3O/c22-15-7-4-8-16-18(15)14-10-9-13(11-17(14)27-16)20-24-19(25-21(23)26-20)12-5-2-1-3-6-12/h1-11H
InChIKeyCWRYYMMAJYIWGU-UHFFFAOYSA-N
MW436.70 g/mol
LogP6.52
Rot. Bonds2

About 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine

2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine (PubChem CID 164934286) has the molecular formula C21H11BrClN3O and a molecular weight of 436.70 g/mol. Its IUPAC name is 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
PubChem CID164934286
Molecular FormulaC21H11BrClN3O
Molecular Weight436.70 g/mol
Exact Mass434.98
IUPAC Name2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2cccc(Br)c23)n1
InChIInChI=1S/C21H11BrClN3O/c22-15-7-4-8-16-18(15)14-10-9-13(11-17(14)27-16)20-24-19(25-21(23)26-20)12-5-2-1-3-6-12/h1-11H
InChIKeyCWRYYMMAJYIWGU-UHFFFAOYSA-N
XLogP6.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.70
LogP ≤ 56.52
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-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845088
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine (CID 164934286) is 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2cccc(Br)c23)n1.
What is the InChIKey of 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine?
The InChIKey is CWRYYMMAJYIWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrClN3O/c22-15-7-4-8-16-18(15)14-10-9-13(11-17(14)27-16)20-24-19(25-21(23)26-20)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine?
2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine has a molecular weight of 436.70 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164934286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).