2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole

C29H19NS — CID 171056561

IUPAC2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)c2)cc1
InChIInChI=1S/C29H19NS/c1-2-9-20(10-3-1)21-11-8-12-22(19-21)23-17-18-26(25-14-5-4-13-24(23)25)29-30-27-15-6-7-16-28(27)31-29/h1-19H
InChIKeyBGEWGANZCYKRNF-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.45
Rot. Bonds3

About 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole

2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole (PubChem CID 171056561) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
PubChem CID171056561
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)c2)cc1
InChIInChI=1S/C29H19NS/c1-2-9-20(10-3-1)21-11-8-12-22(19-21)23-17-18-26(25-14-5-4-13-24(23)25)29-30-27-15-6-7-16-28(27)31-29/h1-19H
InChIKeyBGEWGANZCYKRNF-UHFFFAOYSA-N
XLogP8.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
CID 129257154
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148966592
6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole
CID 174334636
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 153077679
2-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513241

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole (CID 171056561) is 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole is c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5s4)c4ccccc34)c2)cc1.
What is the InChIKey of 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole?
The InChIKey is BGEWGANZCYKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-2-9-20(10-3-1)21-11-8-12-22(19-21)23-17-18-26(25-14-5-4-13-24(23)25)29-30-27-15-6-7-16-28(27)31-29/h1-19H.
What are the key properties of 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole?
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole has a molecular weight of 413.55 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 171056561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).