[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone

C25H16ClNOS — CID 168665191

IUPAC[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H16ClNOS/c26-19-12-15-24-22(16-19)27(21-8-4-5-9-23(21)29-24)20-13-10-18(11-14-20)25(28)17-6-2-1-3-7-17/h1-16H
InChIKeyTYLWTTURZSARAQ-UHFFFAOYSA-N
MW413.93 g/mol
LogP7.51
Rot. Bonds3

About [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone

[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone (PubChem CID 168665191) has the molecular formula C25H16ClNOS and a molecular weight of 413.93 g/mol. Its IUPAC name is [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
PubChem CID168665191
Molecular FormulaC25H16ClNOS
Molecular Weight413.93 g/mol
Exact Mass413.06
IUPAC Name[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2c3ccccc3Sc3ccc(Cl)cc32)cc1
InChIInChI=1S/C25H16ClNOS/c26-19-12-15-24-22(16-19)27(21-8-4-5-9-23(21)29-24)20-13-10-18(11-14-20)25(28)17-6-2-1-3-7-17/h1-16H
InChIKeyTYLWTTURZSARAQ-UHFFFAOYSA-N
XLogP7.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone (CID 168665191) is [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(N2c3ccccc3Sc3ccc(Cl)cc32)cc1.
What is the InChIKey of [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone?
The InChIKey is TYLWTTURZSARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClNOS/c26-19-12-15-24-22(16-19)27(21-8-4-5-9-23(21)29-24)20-13-10-18(11-14-20)25(28)17-6-2-1-3-7-17/h1-16H.
What are the key properties of [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone?
[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone has a molecular weight of 413.93 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 168665191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).