2-methoxy-10-tritylphenothiazine

C32H25NOS — CID 139765572

IUPAC2-methoxy-10-tritylphenothiazine
SMILESCOc1ccc2c(c1)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1S2
InChIInChI=1S/C32H25NOS/c1-34-27-21-22-31-29(23-27)33(28-19-11-12-20-30(28)35-31)32(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-23H,1H3
InChIKeyNMIRZQFIQDZLKY-UHFFFAOYSA-N
MW471.63 g/mol
LogP8.29
Rot. Bonds5

About 2-methoxy-10-tritylphenothiazine

2-methoxy-10-tritylphenothiazine (PubChem CID 139765572) has the molecular formula C32H25NOS and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-methoxy-10-tritylphenothiazine.

Molecular Properties

Compound Name2-methoxy-10-tritylphenothiazine
PubChem CID139765572
Molecular FormulaC32H25NOS
Molecular Weight471.63 g/mol
Exact Mass471.17
IUPAC Name2-methoxy-10-tritylphenothiazine
SMILESCOc1ccc2c(c1)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1S2
InChIInChI=1S/C32H25NOS/c1-34-27-21-22-31-29(23-27)33(28-19-11-12-20-30(28)35-31)32(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-23H,1H3
InChIKeyNMIRZQFIQDZLKY-UHFFFAOYSA-N
XLogP8.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-10-methylphenothiazine
CID 18761115
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
CID 58293895
2,8-dimethoxythianthrene
CID 71400378
1-(2-methoxyphenothiazin-10-yl)-2-methylprop-2-en-1-one
CID 54369042
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
CID 6919170
(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 57347647
2-methoxy-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phenothiazine-10-carboxamide
CID 14027141
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-10-tritylphenothiazine?
The IUPAC name of 2-methoxy-10-tritylphenothiazine (CID 139765572) is 2-methoxy-10-tritylphenothiazine.
What is the SMILES notation for 2-methoxy-10-tritylphenothiazine?
The canonical SMILES for 2-methoxy-10-tritylphenothiazine is COc1ccc2c(c1)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1S2.
What is the InChIKey of 2-methoxy-10-tritylphenothiazine?
The InChIKey is NMIRZQFIQDZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NOS/c1-34-27-21-22-31-29(23-27)33(28-19-11-12-20-30(28)35-31)32(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-23H,1H3.
What are the key properties of 2-methoxy-10-tritylphenothiazine?
2-methoxy-10-tritylphenothiazine has a molecular weight of 471.63 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-tritylphenothiazine is sourced from PubChem (CID 139765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).