1-pyrimidin-4-yl-9H-carbazole

C16H11N3 — CID 142468899

IUPAC1-pyrimidin-4-yl-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3ccncn3)cccc12
InChIInChI=1S/C16H11N3/c1-2-7-15-11(4-1)12-5-3-6-13(16(12)19-15)14-8-9-17-10-18-14/h1-10,19H
InChIKeyNQDMWEVATXHKBJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 1-pyrimidin-4-yl-9H-carbazole

1-pyrimidin-4-yl-9H-carbazole (PubChem CID 142468899) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-pyrimidin-4-yl-9H-carbazole.

Molecular Properties

Compound Name1-pyrimidin-4-yl-9H-carbazole
PubChem CID142468899
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1-pyrimidin-4-yl-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3ccncn3)cccc12
InChIInChI=1S/C16H11N3/c1-2-7-15-11(4-1)12-5-3-6-13(16(12)19-15)14-8-9-17-10-18-14/h1-10,19H
InChIKeyNQDMWEVATXHKBJ-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-yl-9H-carbazole?
The IUPAC name of 1-pyrimidin-4-yl-9H-carbazole (CID 142468899) is 1-pyrimidin-4-yl-9H-carbazole.
What is the SMILES notation for 1-pyrimidin-4-yl-9H-carbazole?
The canonical SMILES for 1-pyrimidin-4-yl-9H-carbazole is c1ccc2c(c1)[nH]c1c(-c3ccncn3)cccc12.
What is the InChIKey of 1-pyrimidin-4-yl-9H-carbazole?
The InChIKey is NQDMWEVATXHKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-7-15-11(4-1)12-5-3-6-13(16(12)19-15)14-8-9-17-10-18-14/h1-10,19H.
What are the key properties of 1-pyrimidin-4-yl-9H-carbazole?
1-pyrimidin-4-yl-9H-carbazole has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-yl-9H-carbazole is sourced from PubChem (CID 142468899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).