N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine

C24H17N3S2 — CID 156694386

IUPACN-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
SMILESc1ccc2c(c1)Nc1c(Nc3cccc4c3Nc3ccccc3S4)cccc1S2
InChIInChI=1S/C24H17N3S2/c1-3-11-19-15(7-1)26-23-17(9-5-13-21(23)28-19)25-18-10-6-14-22-24(18)27-16-8-2-4-12-20(16)29-22/h1-14,25-27H
InChIKeyOBKBRHNHYSNLGW-UHFFFAOYSA-N
MW411.56 g/mol
LogP7.85
Rot. Bonds2

About N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine

N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine (PubChem CID 156694386) has the molecular formula C24H17N3S2 and a molecular weight of 411.56 g/mol. Its IUPAC name is N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine.

Molecular Properties

Compound NameN-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
PubChem CID156694386
Molecular FormulaC24H17N3S2
Molecular Weight411.56 g/mol
Exact Mass411.09
IUPAC NameN-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
SMILESc1ccc2c(c1)Nc1c(Nc3cccc4c3Nc3ccccc3S4)cccc1S2
InChIInChI=1S/C24H17N3S2/c1-3-11-19-15(7-1)26-23-17(9-5-13-21(23)28-19)25-18-10-6-14-22-24(18)27-16-8-2-4-12-20(16)29-22/h1-14,25-27H
InChIKeyOBKBRHNHYSNLGW-UHFFFAOYSA-N
XLogP7.85
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.56
LogP ≤ 57.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine
CID 139958845
1-(10H-phenothiazin-1-yl)-3-phenylurea
CID 139973448
10H-phenothiazine-1-carbaldehyde
CID 12553558
1-(dichloromethyl)-10H-phenothiazine
CID 175351816
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
3-(10H-phenothiazin-1-yl)prop-1-en-1-amine
CID 66898751
1-propan-2-yl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481491
10H-phenothiazine-1,2-diol
CID 19596784
10H-phenothiazin-1-yl formate
CID 57172562
1-(trichloromethylsulfanyl)-10H-phenothiazine
CID 154397906

Frequently Asked Questions

What is the IUPAC name of N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine?
The IUPAC name of N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine (CID 156694386) is N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine.
What is the SMILES notation for N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine?
The canonical SMILES for N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine is c1ccc2c(c1)Nc1c(Nc3cccc4c3Nc3ccccc3S4)cccc1S2.
What is the InChIKey of N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine?
The InChIKey is OBKBRHNHYSNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3S2/c1-3-11-19-15(7-1)26-23-17(9-5-13-21(23)28-19)25-18-10-6-14-22-24(18)27-16-8-2-4-12-20(16)29-22/h1-14,25-27H.
What are the key properties of N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine?
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine has a molecular weight of 411.56 g/mol, XLogP of 7.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine is sourced from PubChem (CID 156694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).