10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine

C28H21NS — CID 58975420

IUPAC10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine
SMILESCC1=Cc2cc(N3c4ccccc4Sc4ccccc43)cc(-c3ccccc3)c2C1
InChIInChI=1S/C28H21NS/c1-19-15-21-17-22(18-24(23(21)16-19)20-9-3-2-4-10-20)29-25-11-5-7-13-27(25)30-28-14-8-6-12-26(28)29/h2-15,17-18H,16H2,1H3
InChIKeyWWTUOAKEXWNLRQ-UHFFFAOYSA-N
MW403.55 g/mol
LogP8.25
Rot. Bonds2

About 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine

10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine (PubChem CID 58975420) has the molecular formula C28H21NS and a molecular weight of 403.55 g/mol. Its IUPAC name is 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine.

Molecular Properties

Compound Name10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine
PubChem CID58975420
Molecular FormulaC28H21NS
Molecular Weight403.55 g/mol
Exact Mass403.14
IUPAC Name10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine
SMILESCC1=Cc2cc(N3c4ccccc4Sc4ccccc43)cc(-c3ccccc3)c2C1
InChIInChI=1S/C28H21NS/c1-19-15-21-17-22(18-24(23(21)16-19)20-9-3-2-4-10-20)29-25-11-5-7-13-27(25)30-28-14-8-6-12-26(28)29/h2-15,17-18H,16H2,1H3
InChIKeyWWTUOAKEXWNLRQ-UHFFFAOYSA-N
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-[4-[4-(9H-acridin-10-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291751
2-[3,5-di(phenothiazin-10-yl)phenyl]isoindole-1,3-dione
CID 130395529
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
perchloric acid;10-phenylphenothiazine
CID 71365783
10-(8-methyl-2-phenylindolizin-3-yl)phenothiazine
CID 166527275
N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline
CID 130249902
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
9-(4-methyl-2-phenylphenyl)furo[3,2-b][1,4]benzothiazine
CID 59573145
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505
3-tert-butyl-10-phenylphenothiazine
CID 134252291

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine?
The IUPAC name of 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine (CID 58975420) is 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine.
What is the SMILES notation for 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine?
The canonical SMILES for 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine is CC1=Cc2cc(N3c4ccccc4Sc4ccccc43)cc(-c3ccccc3)c2C1.
What is the InChIKey of 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine?
The InChIKey is WWTUOAKEXWNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NS/c1-19-15-21-17-22(18-24(23(21)16-19)20-9-3-2-4-10-20)29-25-11-5-7-13-27(25)30-28-14-8-6-12-26(28)29/h2-15,17-18H,16H2,1H3.
What are the key properties of 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine?
10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine has a molecular weight of 403.55 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-7-phenyl-1H-inden-5-yl)phenothiazine is sourced from PubChem (CID 58975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).