2-phenothiazin-10-yl-4-phenylphenol

C24H17NOS — CID 135066131

IUPAC2-phenothiazin-10-yl-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NOS/c26-22-15-14-18(17-8-2-1-3-9-17)16-21(22)25-19-10-4-6-12-23(19)27-24-13-7-5-11-20(24)25/h1-16,26H
InChIKeyIZCZKVKYUAZODB-UHFFFAOYSA-N
MW367.47 g/mol
LogP6.99
Rot. Bonds2

About 2-phenothiazin-10-yl-4-phenylphenol

2-phenothiazin-10-yl-4-phenylphenol (PubChem CID 135066131) has the molecular formula C24H17NOS and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-phenothiazin-10-yl-4-phenylphenol.

Molecular Properties

Compound Name2-phenothiazin-10-yl-4-phenylphenol
PubChem CID135066131
Molecular FormulaC24H17NOS
Molecular Weight367.47 g/mol
Exact Mass367.10
IUPAC Name2-phenothiazin-10-yl-4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17NOS/c26-22-15-14-18(17-8-2-1-3-9-17)16-21(22)25-19-10-4-6-12-23(19)27-24-13-7-5-11-20(24)25/h1-16,26H
InChIKeyIZCZKVKYUAZODB-UHFFFAOYSA-N
XLogP6.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-yl-4-phenylphenol?
The IUPAC name of 2-phenothiazin-10-yl-4-phenylphenol (CID 135066131) is 2-phenothiazin-10-yl-4-phenylphenol.
What is the SMILES notation for 2-phenothiazin-10-yl-4-phenylphenol?
The canonical SMILES for 2-phenothiazin-10-yl-4-phenylphenol is Oc1ccc(-c2ccccc2)cc1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-phenothiazin-10-yl-4-phenylphenol?
The InChIKey is IZCZKVKYUAZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NOS/c26-22-15-14-18(17-8-2-1-3-9-17)16-21(22)25-19-10-4-6-12-23(19)27-24-13-7-5-11-20(24)25/h1-16,26H.
What are the key properties of 2-phenothiazin-10-yl-4-phenylphenol?
2-phenothiazin-10-yl-4-phenylphenol has a molecular weight of 367.47 g/mol, XLogP of 6.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-yl-4-phenylphenol is sourced from PubChem (CID 135066131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).