1,2-di(tetracosyl)-10H-phenothiazine

C60H105NS — CID 19756653

IUPAC1,2-di(tetracosyl)-10H-phenothiazine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCCCCCCCCCCCCCC)Nc1ccccc1S2
InChIInChI=1S/C60H105NS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-55-53-54-59-60(61-57-51-47-48-52-58(57)62-59)56(55)50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48,51-54,61H,3-46,49-50H2,1-2H3
InChIKeyXCSTXNJLXNGUDT-UHFFFAOYSA-N
MW872.57 g/mol
LogP22.18
Rot. Bonds46

About 1,2-di(tetracosyl)-10H-phenothiazine

1,2-di(tetracosyl)-10H-phenothiazine (PubChem CID 19756653) has the molecular formula C60H105NS and a molecular weight of 872.57 g/mol. Its IUPAC name is 1,2-di(tetracosyl)-10H-phenothiazine.

Molecular Properties

Compound Name1,2-di(tetracosyl)-10H-phenothiazine
PubChem CID19756653
Molecular FormulaC60H105NS
Molecular Weight872.57 g/mol
Exact Mass871.80
IUPAC Name1,2-di(tetracosyl)-10H-phenothiazine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCCCCCCCCCCCCCC)Nc1ccccc1S2
InChIInChI=1S/C60H105NS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-55-53-54-59-60(61-57-51-47-48-52-58(57)62-59)56(55)50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48,51-54,61H,3-46,49-50H2,1-2H3
InChIKeyXCSTXNJLXNGUDT-UHFFFAOYSA-N
XLogP22.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds46
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.57
LogP ≤ 522.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
1-butyl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481515
N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine
CID 157406614
1-hexyl-5,10-dihydrophenazine
CID 141276378
1-(2-methylheptan-2-yl)-10H-phenothiazine
CID 54452151
2-heptyl-4-methyl-10H-pyrimido[5,4-b][1,4]benzothiazine
CID 142426961
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
10-methyl-3,4-dioctylphenothiazine
CID 20563193
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
1,2-dibutyl-3-dodecylbenzene
CID 91050964

Frequently Asked Questions

What is the IUPAC name of 1,2-di(tetracosyl)-10H-phenothiazine?
The IUPAC name of 1,2-di(tetracosyl)-10H-phenothiazine (CID 19756653) is 1,2-di(tetracosyl)-10H-phenothiazine.
What is the SMILES notation for 1,2-di(tetracosyl)-10H-phenothiazine?
The canonical SMILES for 1,2-di(tetracosyl)-10H-phenothiazine is CCCCCCCCCCCCCCCCCCCCCCCCc1ccc2c(c1CCCCCCCCCCCCCCCCCCCCCCCC)Nc1ccccc1S2.
What is the InChIKey of 1,2-di(tetracosyl)-10H-phenothiazine?
The InChIKey is XCSTXNJLXNGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H105NS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-55-53-54-59-60(61-57-51-47-48-52-58(57)62-59)56(55)50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48,51-54,61H,3-46,49-50H2,1-2H3.
What are the key properties of 1,2-di(tetracosyl)-10H-phenothiazine?
1,2-di(tetracosyl)-10H-phenothiazine has a molecular weight of 872.57 g/mol, XLogP of 22.18, 46 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(tetracosyl)-10H-phenothiazine is sourced from PubChem (CID 19756653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).