2-(dibenzylamino)-1-phenothiazin-10-ylethanone

C28H24N2OS — CID 2815293

IUPAC2-(dibenzylamino)-1-phenothiazin-10-ylethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H24N2OS/c31-28(30-24-15-7-9-17-26(24)32-27-18-10-8-16-25(27)30)21-29(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-18H,19-21H2
InChIKeyPILXZMZRBXYXJV-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.52
Rot. Bonds6

About 2-(dibenzylamino)-1-phenothiazin-10-ylethanone

2-(dibenzylamino)-1-phenothiazin-10-ylethanone (PubChem CID 2815293) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(dibenzylamino)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(dibenzylamino)-1-phenothiazin-10-ylethanone
PubChem CID2815293
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name2-(dibenzylamino)-1-phenothiazin-10-ylethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H24N2OS/c31-28(30-24-15-7-9-17-26(24)32-27-18-10-8-16-25(27)30)21-29(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-18H,19-21H2
InChIKeyPILXZMZRBXYXJV-UHFFFAOYSA-N
XLogP6.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(dibenzylamino)-1-phenothiazin-10-ylethanone (CID 2815293) is 2-(dibenzylamino)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(dibenzylamino)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(dibenzylamino)-1-phenothiazin-10-ylethanone is O=C(CN(Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(dibenzylamino)-1-phenothiazin-10-ylethanone?
The InChIKey is PILXZMZRBXYXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c31-28(30-24-15-7-9-17-26(24)32-27-18-10-8-16-25(27)30)21-29(19-22-11-3-1-4-12-22)20-23-13-5-2-6-14-23/h1-18H,19-21H2.
What are the key properties of 2-(dibenzylamino)-1-phenothiazin-10-ylethanone?
2-(dibenzylamino)-1-phenothiazin-10-ylethanone has a molecular weight of 436.58 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 2815293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).