phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone

C23H15N3O — CID 162405538

IUPACphenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2c3ccccc3n(-c3ncccn3)c12
InChIInChI=1S/C23H15N3O/c27-22(16-8-2-1-3-9-16)19-12-6-11-18-17-10-4-5-13-20(17)26(21(18)19)23-24-14-7-15-25-23/h1-15H
InChIKeyNGZDVBWITXSBHE-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.80
Rot. Bonds3

About phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone

phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone (PubChem CID 162405538) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
PubChem CID162405538
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Namephenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
SMILESO=C(c1ccccc1)c1cccc2c3ccccc3n(-c3ncccn3)c12
InChIInChI=1S/C23H15N3O/c27-22(16-8-2-1-3-9-16)19-12-6-11-18-17-10-4-5-13-20(17)26(21(18)19)23-24-14-7-15-25-23/h1-15H
InChIKeyNGZDVBWITXSBHE-UHFFFAOYSA-N
XLogP4.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone?
The IUPAC name of phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone (CID 162405538) is phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone.
What is the SMILES notation for phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone?
The canonical SMILES for phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone is O=C(c1ccccc1)c1cccc2c3ccccc3n(-c3ncccn3)c12.
What is the InChIKey of phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone?
The InChIKey is NGZDVBWITXSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c27-22(16-8-2-1-3-9-16)19-12-6-11-18-17-10-4-5-13-20(17)26(21(18)19)23-24-14-7-15-25-23/h1-15H.
What are the key properties of phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone?
phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone is sourced from PubChem (CID 162405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).