2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole

C35H21F2NS — CID 166850431

IUPAC2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C35H21F2NS/c36-31-19-30(20-32(37)21-31)24-7-5-22(6-8-24)26-13-15-29-18-27(14-16-28(29)17-26)23-9-11-25(12-10-23)35-38-33-3-1-2-4-34(33)39-35/h1-21H
InChIKeyLUBXYZCKWYATOX-UHFFFAOYSA-N
MW525.62 g/mol
LogP10.40
Rot. Bonds4

About 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole

2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 166850431) has the molecular formula C35H21F2NS and a molecular weight of 525.62 g/mol. Its IUPAC name is 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
PubChem CID166850431
Molecular FormulaC35H21F2NS
Molecular Weight525.62 g/mol
Exact Mass525.14
IUPAC Name2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
SMILESFc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc4c3)cc2)c1
InChIInChI=1S/C35H21F2NS/c36-31-19-30(20-32(37)21-31)24-7-5-22(6-8-24)26-13-15-29-18-27(14-16-28(29)17-26)23-9-11-25(12-10-23)35-38-33-3-1-2-4-34(33)39-35/h1-21H
InChIKeyLUBXYZCKWYATOX-UHFFFAOYSA-N
XLogP10.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[4-[6-[6-(2,3,4,5,6-pentafluorophenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850313
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
6-[3-(1,3-benzothiazol-2-yl)-5-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]naphthalene-2-carbonitrile
CID 167017396
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 176740318
2-[4-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 70829910
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole (CID 166850431) is 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole is Fc1cc(F)cc(-c2ccc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc4c3)cc2)c1.
What is the InChIKey of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is LUBXYZCKWYATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F2NS/c36-31-19-30(20-32(37)21-31)24-7-5-22(6-8-24)26-13-15-29-18-27(14-16-28(29)17-26)23-9-11-25(12-10-23)35-38-33-3-1-2-4-34(33)39-35/h1-21H.
What are the key properties of 2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole?
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 525.62 g/mol, XLogP of 10.40, 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-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 166850431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).