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

C36H24FNS — CID 166850337

IUPAC2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(F)cc7)cc6)ccc5c4)cc3)sc2c1
InChIInChI=1S/C36H24FNS/c1-23-2-19-34-35(20-23)39-36(38-34)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(37)18-16-25/h2-22H,1H3
InChIKeyTVCIJOHLOCSXLP-UHFFFAOYSA-N
MW521.66 g/mol
LogP10.57
Rot. Bonds4

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

2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole (PubChem CID 166850337) has the molecular formula C36H24FNS and a molecular weight of 521.66 g/mol. Its IUPAC name is 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
PubChem CID166850337
Molecular FormulaC36H24FNS
Molecular Weight521.66 g/mol
Exact Mass521.16
IUPAC Name2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(F)cc7)cc6)ccc5c4)cc3)sc2c1
InChIInChI=1S/C36H24FNS/c1-23-2-19-34-35(20-23)39-36(38-34)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(37)18-16-25/h2-22H,1H3
InChIKeyTVCIJOHLOCSXLP-UHFFFAOYSA-N
XLogP10.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850431
1-[2-(4-fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108902175
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-6-methyl-1,3-benzothiazole
CID 146335503
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole (CID 166850337) is 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-c3ccc(-c4ccc5cc(-c6ccc(-c7ccc(F)cc7)cc6)ccc5c4)cc3)sc2c1.
What is the InChIKey of 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole?
The InChIKey is TVCIJOHLOCSXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNS/c1-23-2-19-34-35(20-23)39-36(38-34)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(37)18-16-25/h2-22H,1H3.
What are the key properties of 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole?
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole has a molecular weight of 521.66 g/mol, XLogP of 10.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 166850337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).