10-(cyclopentadecylidenemethyl)phenothiazine

C28H37NS — CID 86063318

IUPAC10-(cyclopentadecylidenemethyl)phenothiazine
SMILESC(=C1CCCCCCCCCCCCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H37NS/c1-2-4-6-8-10-12-18-24(17-11-9-7-5-3-1)23-29-25-19-13-15-21-27(25)30-28-22-16-14-20-26(28)29/h13-16,19-23H,1-12,17-18H2
InChIKeyIBRNDVRRTQWFSX-UHFFFAOYSA-N
MW419.68 g/mol
LogP9.65
Rot. Bonds1

About 10-(cyclopentadecylidenemethyl)phenothiazine

10-(cyclopentadecylidenemethyl)phenothiazine (PubChem CID 86063318) has the molecular formula C28H37NS and a molecular weight of 419.68 g/mol. Its IUPAC name is 10-(cyclopentadecylidenemethyl)phenothiazine.

Molecular Properties

Compound Name10-(cyclopentadecylidenemethyl)phenothiazine
PubChem CID86063318
Molecular FormulaC28H37NS
Molecular Weight419.68 g/mol
Exact Mass419.26
IUPAC Name10-(cyclopentadecylidenemethyl)phenothiazine
SMILESC(=C1CCCCCCCCCCCCCC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H37NS/c1-2-4-6-8-10-12-18-24(17-11-9-7-5-3-1)23-29-25-19-13-15-21-27(25)30-28-22-16-14-20-26(28)29/h13-16,19-23H,1-12,17-18H2
InChIKeyIBRNDVRRTQWFSX-UHFFFAOYSA-N
XLogP9.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.68
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenothiazine-10-carbaldehyde
CID 11138870
N-tert-butyl-1-phenothiazin-10-ylmethanimine
CID 13071503
10-(3-piperidin-1-ium-1-ylpropyl)phenothiazine
CID 4066032
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
1-(cyclooctylidenemethyl)pyrrolidine
CID 12584847
phenothiazine-10-carbonitrile
CID 15926111
2-cyclohexylidene-1,3-benzodithiole
CID 10243140
10-(2-methylcyclopropyl)phenothiazine
CID 59112633
5-iodo-6-methylidenebenzo[b][1,4]benzothiazepine
CID 145123178
2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
CID 143481394
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
cyclohexyl phenothiazine-10-carboxylate
CID 139765557

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopentadecylidenemethyl)phenothiazine?
The IUPAC name of 10-(cyclopentadecylidenemethyl)phenothiazine (CID 86063318) is 10-(cyclopentadecylidenemethyl)phenothiazine.
What is the SMILES notation for 10-(cyclopentadecylidenemethyl)phenothiazine?
The canonical SMILES for 10-(cyclopentadecylidenemethyl)phenothiazine is C(=C1CCCCCCCCCCCCCC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(cyclopentadecylidenemethyl)phenothiazine?
The InChIKey is IBRNDVRRTQWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NS/c1-2-4-6-8-10-12-18-24(17-11-9-7-5-3-1)23-29-25-19-13-15-21-27(25)30-28-22-16-14-20-26(28)29/h13-16,19-23H,1-12,17-18H2.
What are the key properties of 10-(cyclopentadecylidenemethyl)phenothiazine?
10-(cyclopentadecylidenemethyl)phenothiazine has a molecular weight of 419.68 g/mol, XLogP of 9.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopentadecylidenemethyl)phenothiazine is sourced from PubChem (CID 86063318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).