12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole

C21H12N4O — CID 118502562

IUPAC12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ncncn3)c21
InChIInChI=1S/C21H12N4O/c1-3-7-17-13(5-1)15-9-10-16-14-6-2-4-8-18(14)26-20(16)19(15)25(17)21-23-11-22-12-24-21/h1-12H
InChIKeyZKVCBKHPJGXMNE-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.87
Rot. Bonds1

About 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole

12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 118502562) has the molecular formula C21H12N4O and a molecular weight of 336.35 g/mol. Its IUPAC name is 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID118502562
Molecular FormulaC21H12N4O
Molecular Weight336.35 g/mol
Exact Mass336.10
IUPAC Name12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ncncn3)c21
InChIInChI=1S/C21H12N4O/c1-3-7-17-13(5-1)15-9-10-16-14-6-2-4-8-18(14)26-20(16)19(15)25(17)21-23-11-22-12-24-21/h1-12H
InChIKeyZKVCBKHPJGXMNE-UHFFFAOYSA-N
XLogP4.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 118502562) is 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ncncn3)c21.
What is the InChIKey of 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZKVCBKHPJGXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O/c1-3-7-17-13(5-1)15-9-10-16-14-6-2-4-8-18(14)26-20(16)19(15)25(17)21-23-11-22-12-24-21/h1-12H.
What are the key properties of 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 336.35 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118502562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).