10-(4-phenylphenyl)phenothiazine

C24H17NS — CID 3680113

IUPAC10-(4-phenylphenyl)phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C24H17NS/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)25-21-10-4-6-12-23(21)26-24-13-7-5-11-22(24)25/h1-17H
InChIKeySWHBTZNMYNDGCA-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.29
Rot. Bonds2

About 10-(4-phenylphenyl)phenothiazine

10-(4-phenylphenyl)phenothiazine (PubChem CID 3680113) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 10-(4-phenylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-phenylphenyl)phenothiazine
PubChem CID3680113
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name10-(4-phenylphenyl)phenothiazine
SMILESc1ccc(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C24H17NS/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)25-21-10-4-6-12-23(21)26-24-13-7-5-11-22(24)25/h1-17H
InChIKeySWHBTZNMYNDGCA-UHFFFAOYSA-N
XLogP7.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ferroptosis-IN-18
CID 141531564
10-Phenylphenothiazine
CID 95203
N-benzyl-N-methyl-3-phenothiazin-10-ylpropan-1-amine
CID 118724300
2-[1-(3,5-dimethylphenyl)ethyl]-10H-phenothiazine
CID 141531495
2-[1-(3-ethylphenyl)ethyl]-10H-phenothiazine
CID 141531503
2-[1-(4-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531509
2-[1-(3-methylphenyl)ethyl]-10H-phenothiazine
CID 141531527
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-10H-phenothiazine
CID 141531537
2-[1-(3-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531544
2-[1-(3-fluorophenyl)ethyl]-10H-phenothiazine
CID 141531550
2-[1-(4-ethylphenyl)ethyl]-10H-phenothiazine
CID 141531551
2-[1-(4-butylphenyl)ethyl]-10H-phenothiazine
CID 141531554

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylphenyl)phenothiazine?
The IUPAC name of 10-(4-phenylphenyl)phenothiazine (CID 3680113) is 10-(4-phenylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-phenylphenyl)phenothiazine?
The canonical SMILES for 10-(4-phenylphenyl)phenothiazine is c1ccc(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of 10-(4-phenylphenyl)phenothiazine?
The InChIKey is SWHBTZNMYNDGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)25-21-10-4-6-12-23(21)26-24-13-7-5-11-22(24)25/h1-17H.
What are the key properties of 10-(4-phenylphenyl)phenothiazine?
10-(4-phenylphenyl)phenothiazine has a molecular weight of 351.47 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylphenyl)phenothiazine is sourced from PubChem (CID 3680113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).