2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine

C19H10ClN3O2 — CID 176645637

IUPAC2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H
InChIKeyUZJVYECTYBJDLS-UHFFFAOYSA-N
MW347.76 g/mol
LogP5.35
Rot. Bonds2

About 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine

2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine (PubChem CID 176645637) has the molecular formula C19H10ClN3O2 and a molecular weight of 347.76 g/mol. Its IUPAC name is 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
PubChem CID176645637
Molecular FormulaC19H10ClN3O2
Molecular Weight347.76 g/mol
Exact Mass347.05
IUPAC Name2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
SMILESClc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H
InChIKeyUZJVYECTYBJDLS-UHFFFAOYSA-N
XLogP5.35
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.76
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
CID 114734080
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087946
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645246
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183190
4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909353

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine (CID 176645637) is 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine is Clc1nc(-c2cc3ccccc3o2)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
The InChIKey is UZJVYECTYBJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN3O2/c20-19-22-17(15-9-11-5-1-3-7-13(11)24-15)21-18(23-19)16-10-12-6-2-4-8-14(12)25-16/h1-10H.
What are the key properties of 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine?
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine has a molecular weight of 347.76 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine is sourced from PubChem (CID 176645637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).