10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine

C35H33NO2S — CID 166715740

IUPAC10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine
SMILESCS1(C)c2cc(OCc3ccccc3)ccc2N(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C35H33NO2S/c1-39(2)34-22-30(37-25-28-14-8-4-9-15-28)18-20-32(34)36(24-27-12-6-3-7-13-27)33-21-19-31(23-35(33)39)38-26-29-16-10-5-11-17-29/h3-23H,24-26H2,1-2H3
InChIKeyGTSKEZXFLDVAHJ-UHFFFAOYSA-N
MW531.72 g/mol
LogP8.98
Rot. Bonds8

About 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine

10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine (PubChem CID 166715740) has the molecular formula C35H33NO2S and a molecular weight of 531.72 g/mol. Its IUPAC name is 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine.

Molecular Properties

Compound Name10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine
PubChem CID166715740
Molecular FormulaC35H33NO2S
Molecular Weight531.72 g/mol
Exact Mass531.22
IUPAC Name10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine
SMILESCS1(C)c2cc(OCc3ccccc3)ccc2N(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C35H33NO2S/c1-39(2)34-22-30(37-25-28-14-8-4-9-15-28)18-20-32(34)36(24-27-12-6-3-7-13-27)33-21-19-31(23-35(33)39)38-26-29-16-10-5-11-17-29/h3-23H,24-26H2,1-2H3
InChIKeyGTSKEZXFLDVAHJ-UHFFFAOYSA-N
XLogP8.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.72
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-phenylmethoxy-2-pyrrol-1-ylaniline
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6-methyl-5,5-dioxo-3-phenylmethoxybenzo[c][2,1]benzothiazepin-11-one
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1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
CID 57138416
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine?
The IUPAC name of 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine (CID 166715740) is 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine.
What is the SMILES notation for 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine?
The canonical SMILES for 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine is CS1(C)c2cc(OCc3ccccc3)ccc2N(Cc2ccccc2)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine?
The InChIKey is GTSKEZXFLDVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO2S/c1-39(2)34-22-30(37-25-28-14-8-4-9-15-28)18-20-32(34)36(24-27-12-6-3-7-13-27)33-21-19-31(23-35(33)39)38-26-29-16-10-5-11-17-29/h3-23H,24-26H2,1-2H3.
What are the key properties of 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine?
10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine has a molecular weight of 531.72 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-5,5-dimethyl-3,7-bis(phenylmethoxy)phenothiazine is sourced from PubChem (CID 166715740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).