6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole

C37H24F3NS — CID 166850249

IUPAC6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)cc6)ccc5c4)cc3)sc2c1
InChIInChI=1S/C37H24F3NS/c1-23-2-19-34-35(20-23)42-36(41-34)28-9-7-27(8-10-28)30-12-14-31-21-29(11-13-32(31)22-30)26-5-3-24(4-6-26)25-15-17-33(18-16-25)37(38,39)40/h2-22H,1H3
InChIKeyMCNNOSWOCFLTAE-UHFFFAOYSA-N
MW571.67 g/mol
LogP11.44
Rot. Bonds4

About 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole

6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 166850249) has the molecular formula C37H24F3NS and a molecular weight of 571.67 g/mol. Its IUPAC name is 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
PubChem CID166850249
Molecular FormulaC37H24F3NS
Molecular Weight571.67 g/mol
Exact Mass571.16
IUPAC Name6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)cc6)ccc5c4)cc3)sc2c1
InChIInChI=1S/C37H24F3NS/c1-23-2-19-34-35(20-23)42-36(41-34)28-9-7-27(8-10-28)30-12-14-31-21-29(11-13-32(31)22-30)26-5-3-24(4-6-26)25-15-17-33(18-16-25)37(38,39)40/h2-22H,1H3
InChIKeyMCNNOSWOCFLTAE-UHFFFAOYSA-N
XLogP11.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.67
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole with MolForge

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Related Compounds

6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
2-[4-[6-[6-[4-(trifluoromethyl)phenyl]phenanthridin-3-yl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850347
2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-6-methyl-1,3-benzothiazole
CID 146335503
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole (CID 166850249) is 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole is Cc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)cc6)ccc5c4)cc3)sc2c1.
What is the InChIKey of 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is MCNNOSWOCFLTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F3NS/c1-23-2-19-34-35(20-23)42-36(41-34)28-9-7-27(8-10-28)30-12-14-31-21-29(11-13-32(31)22-30)26-5-3-24(4-6-26)25-15-17-33(18-16-25)37(38,39)40/h2-22H,1H3.
What are the key properties of 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 571.67 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 166850249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).