8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine

C26H19NS2 — CID 160547403

IUPAC8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3c2ccc2c3Cc3ccccc3S2)cc1
InChIInChI=1S/C26H19NS2/c1-17-10-12-19(13-11-17)27-21-7-3-5-9-25(21)29-26-20-16-18-6-2-4-8-23(18)28-24(20)15-14-22(26)27/h2-15H,16H2,1H3
InChIKeyHFZDUJOIPPYSOM-UHFFFAOYSA-N
MW409.58 g/mol
LogP7.98
Rot. Bonds1

About 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine

8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine (PubChem CID 160547403) has the molecular formula C26H19NS2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine.

Molecular Properties

Compound Name8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine
PubChem CID160547403
Molecular FormulaC26H19NS2
Molecular Weight409.58 g/mol
Exact Mass409.10
IUPAC Name8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine
SMILESCc1ccc(N2c3ccccc3Sc3c2ccc2c3Cc3ccccc3S2)cc1
InChIInChI=1S/C26H19NS2/c1-17-10-12-19(13-11-17)27-21-7-3-5-9-25(21)29-26-20-16-18-6-2-4-8-23(18)28-24(20)15-14-22(26)27/h2-15H,16H2,1H3
InChIKeyHFZDUJOIPPYSOM-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
CID 158800879
14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
CID 123627452
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
4-(4-methylphenyl)-9H-thioxanthene
CID 170229456
1,2,3-tris(4-methylphenyl)-9H-thioxanthene
CID 159767836
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240
bis(9H-thioxanthen-1-yl)methanone
CID 67045780
N,N-diethyl-4-phenothiazin-10-ylaniline
CID 86145082
10-(4-thiophen-2-ylphenyl)phenothiazine
CID 142724599
1-iodo-4-methyl-9H-thioxanthene
CID 145125552

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine?
The IUPAC name of 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine (CID 160547403) is 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine.
What is the SMILES notation for 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine?
The canonical SMILES for 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine is Cc1ccc(N2c3ccccc3Sc3c2ccc2c3Cc3ccccc3S2)cc1.
What is the InChIKey of 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine?
The InChIKey is HFZDUJOIPPYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NS2/c1-17-10-12-19(13-11-17)27-21-7-3-5-9-25(21)29-26-20-16-18-6-2-4-8-23(18)28-24(20)15-14-22(26)27/h2-15H,16H2,1H3.
What are the key properties of 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine?
8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine has a molecular weight of 409.58 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine is sourced from PubChem (CID 160547403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).