2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol

C35H23NOS — CID 138712038

IUPAC2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3cccc(-c4ccccc4)c3)cc2s1
InChIInChI=1S/C35H23NOS/c37-32-19-7-6-17-30(32)35-36-34-31(29-18-9-13-24-12-4-5-16-28(24)29)21-27(22-33(34)38-35)26-15-8-14-25(20-26)23-10-2-1-3-11-23/h1-22,37H
InChIKeyLEKKULFMRXONGZ-UHFFFAOYSA-N
MW505.64 g/mol
LogP9.82
Rot. Bonds4

About 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol

2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol (PubChem CID 138712038) has the molecular formula C35H23NOS and a molecular weight of 505.64 g/mol. Its IUPAC name is 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol
PubChem CID138712038
Molecular FormulaC35H23NOS
Molecular Weight505.64 g/mol
Exact Mass505.15
IUPAC Name2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3cccc(-c4ccccc4)c3)cc2s1
InChIInChI=1S/C35H23NOS/c37-32-19-7-6-17-30(32)35-36-34-31(29-18-9-13-24-12-4-5-16-28(24)29)21-27(22-33(34)38-35)26-15-8-14-25(20-26)23-10-2-1-3-11-23/h1-22,37H
InChIKeyLEKKULFMRXONGZ-UHFFFAOYSA-N
XLogP9.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-naphthalen-1-yl-4-phenylphenyl)phenol
CID 174712226
2-[4-(4-isoquinolin-5-ylphenyl)phenyl]-4,6-dinaphthalen-1-yl-1,3-benzothiazole
CID 145437030
2-tert-butyl-6-[[2-(4,6-dinaphthalen-1-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-iodophenol
CID 138712027
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyl-1,3-benzothiazole
CID 153310015
4-tert-butyl-2-[6-tert-butyl-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylphenyl]-1,3-benzothiazol-2-yl]phenol
CID 177110945
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171584432
2-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 164743000
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-[6-butyl-4-(3-phenylphenyl)-1,3-benzothiazol-2-yl]aniline
CID 138712126

Frequently Asked Questions

What is the IUPAC name of 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol?
The IUPAC name of 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol (CID 138712038) is 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol.
What is the SMILES notation for 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol?
The canonical SMILES for 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3cccc(-c4ccccc4)c3)cc2s1.
What is the InChIKey of 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol?
The InChIKey is LEKKULFMRXONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NOS/c37-32-19-7-6-17-30(32)35-36-34-31(29-18-9-13-24-12-4-5-16-28(24)29)21-27(22-33(34)38-35)26-15-8-14-25(20-26)23-10-2-1-3-11-23/h1-22,37H.
What are the key properties of 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol?
2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol has a molecular weight of 505.64 g/mol, XLogP of 9.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol is sourced from PubChem (CID 138712038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).