12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole

C22H13N3O — CID 118502557

IUPAC12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc1
InChIInChI=1S/C22H13N3O/c1-3-8-18-14(6-1)16-10-11-17-15-7-2-4-9-19(15)26-21(17)20(16)25(18)22-23-12-5-13-24-22/h1-13H
InChIKeyZFUNXJAYOZEKTI-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.47
Rot. Bonds1

About 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole

12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole (PubChem CID 118502557) has the molecular formula C22H13N3O and a molecular weight of 335.37 g/mol. Its IUPAC name is 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole
PubChem CID118502557
Molecular FormulaC22H13N3O
Molecular Weight335.37 g/mol
Exact Mass335.11
IUPAC Name12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc1
InChIInChI=1S/C22H13N3O/c1-3-8-18-14(6-1)16-10-11-17-15-7-2-4-9-19(15)26-21(17)20(16)25(18)22-23-12-5-13-24-22/h1-13H
InChIKeyZFUNXJAYOZEKTI-UHFFFAOYSA-N
XLogP5.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole (CID 118502557) is 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole is c1cnc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc1.
What is the InChIKey of 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZFUNXJAYOZEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O/c1-3-8-18-14(6-1)16-10-11-17-15-7-2-4-9-19(15)26-21(17)20(16)25(18)22-23-12-5-13-24-22/h1-13H.
What are the key properties of 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole?
12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 335.37 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyrimidin-2-yl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118502557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).