1,2-bis(2-methylphenyl)-10H-phenothiazine

C26H21NS — CID 141026755

IUPAC1,2-bis(2-methylphenyl)-10H-phenothiazine
SMILESCc1ccccc1-c1ccc2c(c1-c1ccccc1C)Nc1ccccc1S2
InChIInChI=1S/C26H21NS/c1-17-9-3-5-11-19(17)21-15-16-24-26(25(21)20-12-6-4-10-18(20)2)27-22-13-7-8-14-23(22)28-24/h3-16,27H,1-2H3
InChIKeyRFLDILNKCOFUGL-UHFFFAOYSA-N
MW379.53 g/mol
LogP7.85
Rot. Bonds2

About 1,2-bis(2-methylphenyl)-10H-phenothiazine

1,2-bis(2-methylphenyl)-10H-phenothiazine (PubChem CID 141026755) has the molecular formula C26H21NS and a molecular weight of 379.53 g/mol. Its IUPAC name is 1,2-bis(2-methylphenyl)-10H-phenothiazine.

Molecular Properties

Compound Name1,2-bis(2-methylphenyl)-10H-phenothiazine
PubChem CID141026755
Molecular FormulaC26H21NS
Molecular Weight379.53 g/mol
Exact Mass379.14
IUPAC Name1,2-bis(2-methylphenyl)-10H-phenothiazine
SMILESCc1ccccc1-c1ccc2c(c1-c1ccccc1C)Nc1ccccc1S2
InChIInChI=1S/C26H21NS/c1-17-9-3-5-11-19(17)21-15-16-24-26(25(21)20-12-6-4-10-18(20)2)27-22-13-7-8-14-23(22)28-24/h3-16,27H,1-2H3
InChIKeyRFLDILNKCOFUGL-UHFFFAOYSA-N
XLogP7.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenyl-10H-phenothiazine
CID 91018279
ethane;10H-phenothiazine
CID 90730014
2-bromo-1-phenyl-10H-phenothiazine
CID 67530397
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
[4-(10H-phenothiazin-1-yl)naphthalen-1-yl]boronic acid
CID 141477146
10H-phenothiazine-1,2-diol
CID 19596784
2-methyl-10H-phenothiazine
CID 611628
copper;10H-phenothiazine;hydrochloride
CID 70634229
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1,2,3,4-tetramethyl-10H-phenothiazine
CID 91137984
1-phenyl-2-(2,4,4-trimethylpentan-2-yl)-10H-phenothiazine
CID 156780290
4-ethenyl-3-(2-methylphenyl)benzo[b]thianthrene
CID 145110189

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylphenyl)-10H-phenothiazine?
The IUPAC name of 1,2-bis(2-methylphenyl)-10H-phenothiazine (CID 141026755) is 1,2-bis(2-methylphenyl)-10H-phenothiazine.
What is the SMILES notation for 1,2-bis(2-methylphenyl)-10H-phenothiazine?
The canonical SMILES for 1,2-bis(2-methylphenyl)-10H-phenothiazine is Cc1ccccc1-c1ccc2c(c1-c1ccccc1C)Nc1ccccc1S2.
What is the InChIKey of 1,2-bis(2-methylphenyl)-10H-phenothiazine?
The InChIKey is RFLDILNKCOFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NS/c1-17-9-3-5-11-19(17)21-15-16-24-26(25(21)20-12-6-4-10-18(20)2)27-22-13-7-8-14-23(22)28-24/h3-16,27H,1-2H3.
What are the key properties of 1,2-bis(2-methylphenyl)-10H-phenothiazine?
1,2-bis(2-methylphenyl)-10H-phenothiazine has a molecular weight of 379.53 g/mol, XLogP of 7.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylphenyl)-10H-phenothiazine is sourced from PubChem (CID 141026755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).