3-tert-butyl-10-phenylphenothiazine

C22H21NS — CID 134252291

IUPAC3-tert-butyl-10-phenylphenothiazine
SMILESCC(C)(C)c1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C22H21NS/c1-22(2,3)16-13-14-19-21(15-16)24-20-12-8-7-11-18(20)23(19)17-9-5-4-6-10-17/h4-15H,1-3H3
InChIKeyGBXDHVZJOKAWMN-UHFFFAOYSA-N
MW331.48 g/mol
LogP6.92
Rot. Bonds1

About 3-tert-butyl-10-phenylphenothiazine

3-tert-butyl-10-phenylphenothiazine (PubChem CID 134252291) has the molecular formula C22H21NS and a molecular weight of 331.48 g/mol. Its IUPAC name is 3-tert-butyl-10-phenylphenothiazine.

Molecular Properties

Compound Name3-tert-butyl-10-phenylphenothiazine
PubChem CID134252291
Molecular FormulaC22H21NS
Molecular Weight331.48 g/mol
Exact Mass331.14
IUPAC Name3-tert-butyl-10-phenylphenothiazine
SMILESCC(C)(C)c1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C22H21NS/c1-22(2,3)16-13-14-19-21(15-16)24-20-12-8-7-11-18(20)23(19)17-9-5-4-6-10-17/h4-15H,1-3H3
InChIKeyGBXDHVZJOKAWMN-UHFFFAOYSA-N
XLogP6.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-10-[4-[3-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]phenothiazine
CID 166689734
10-(2,6-ditert-butyl-10-phenothiazin-10-ylanthracen-9-yl)phenothiazine
CID 24814670
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
perchloric acid;10-phenylphenothiazine
CID 71365783
3-(10-tert-butylphenothiazin-3-yl)-7-(2,2-dimethylpropyl)-10-phenylphenothiazine
CID 170187699
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210
4-tert-butyl-2-[2-(trifluoromethyl)phenothiazin-10-yl]phenol
CID 122219314
10-(5,17-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenothiazine
CID 160797933
10-(4-tert-butylphenyl)-2-(5-phenyl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533656
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-10-phenylphenothiazine?
The IUPAC name of 3-tert-butyl-10-phenylphenothiazine (CID 134252291) is 3-tert-butyl-10-phenylphenothiazine.
What is the SMILES notation for 3-tert-butyl-10-phenylphenothiazine?
The canonical SMILES for 3-tert-butyl-10-phenylphenothiazine is CC(C)(C)c1ccc2c(c1)Sc1ccccc1N2c1ccccc1.
What is the InChIKey of 3-tert-butyl-10-phenylphenothiazine?
The InChIKey is GBXDHVZJOKAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NS/c1-22(2,3)16-13-14-19-21(15-16)24-20-12-8-7-11-18(20)23(19)17-9-5-4-6-10-17/h4-15H,1-3H3.
What are the key properties of 3-tert-butyl-10-phenylphenothiazine?
3-tert-butyl-10-phenylphenothiazine has a molecular weight of 331.48 g/mol, XLogP of 6.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-10-phenylphenothiazine is sourced from PubChem (CID 134252291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).