9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile

C24H19N3O2 — CID 71254092

IUPAC9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
SMILESCC(O)(COc1ccccc1)Cn1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C24H19N3O2/c1-24(28,16-29-19-5-3-2-4-6-19)15-27-22-9-7-17(13-25)11-20(22)21-12-18(14-26)8-10-23(21)27/h2-12,28H,15-16H2,1H3
InChIKeyLUSONGKTNZEYKK-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.37
Rot. Bonds5

About 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile

9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile (PubChem CID 71254092) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
PubChem CID71254092
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile
SMILESCC(O)(COc1ccccc1)Cn1c2ccc(C#N)cc2c2cc(C#N)ccc21
InChIInChI=1S/C24H19N3O2/c1-24(28,16-29-19-5-3-2-4-6-19)15-27-22-9-7-17(13-25)11-20(22)21-12-18(14-26)8-10-23(21)27/h2-12,28H,15-16H2,1H3
InChIKeyLUSONGKTNZEYKK-UHFFFAOYSA-N
XLogP4.37
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile (CID 71254092) is 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile is CC(O)(COc1ccccc1)Cn1c2ccc(C#N)cc2c2cc(C#N)ccc21.
What is the InChIKey of 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
The InChIKey is LUSONGKTNZEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-24(28,16-29-19-5-3-2-4-6-19)15-27-22-9-7-17(13-25)11-20(22)21-12-18(14-26)8-10-23(21)27/h2-12,28H,15-16H2,1H3.
What are the key properties of 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile?
9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxy-2-methyl-3-phenoxypropyl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 71254092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).