10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine

C26H29NS — CID 59184123

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C26H29NS/c1-16-8-10-21-23(12-16)28-24-13-17(2)9-11-22(24)27(21)25-18(3)14-20(15-19(25)4)26(5,6)7/h8-15H,1-7H3
InChIKeyOCZAEJZQMGUAPX-UHFFFAOYSA-N
MW387.59 g/mol
LogP8.15
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine

10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine (PubChem CID 59184123) has the molecular formula C26H29NS and a molecular weight of 387.59 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
PubChem CID59184123
Molecular FormulaC26H29NS
Molecular Weight387.59 g/mol
Exact Mass387.20
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C26H29NS/c1-16-8-10-21-23(12-16)28-24-13-17(2)9-11-22(24)27(21)25-18(3)14-20(15-19(25)4)26(5,6)7/h8-15H,1-7H3
InChIKeyOCZAEJZQMGUAPX-UHFFFAOYSA-N
XLogP8.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(4-tert-butyl-2,6-dimethylphenyl)-3,8-dimethylbenzo[c][1,2,5]benzotriazepine
CID 59573100
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
9-(4-tert-butyl-2,6-dimethylphenyl)-2-methylfuro[3,2-b][1,4]benzothiazine
CID 59572687
6-(4-tert-butyl-2,6-dimethylphenyl)-2,9-dimethylquinolino[3,2-b][1,4]benzoxazine
CID 59572612
11-(4-tert-butyl-2,6-dimethylphenyl)-3,9-dimethyl-[1]benzothiolo[2,3-b][1,4]benzoxazine
CID 59573303
3,7-dimethyl-10-(2-phenylphenyl)phenothiazine
CID 59572850
3,7-dimethyl-10-(2,2,2-trifluoroethyl)phenothiazine
CID 118593710
3,8-dimethyl-11-(2,4,6-trimethylphenyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59572240
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
5-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethylpyrimido[4,5-b][1,4]benzoxazine
CID 59572486
11-tert-butyl-5,17-dimethyl-8,14-bis(2,3,4,5,6-pentamethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 153425022
6-(4-tert-butyl-2,6-dimethylphenyl)-2,9-dimethyl-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide
CID 59573279

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine (CID 59184123) is 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine?
The InChIKey is OCZAEJZQMGUAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NS/c1-16-8-10-21-23(12-16)28-24-13-17(2)9-11-22(24)27(21)25-18(3)14-20(15-19(25)4)26(5,6)7/h8-15H,1-7H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine has a molecular weight of 387.59 g/mol, XLogP of 8.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine is sourced from PubChem (CID 59184123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).