2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole

C32H20N2S2 — CID 56641876

IUPAC2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole
SMILESc1ccc(-c2c(Sc3nc4ccccc4s3)c(-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C32H20N2S2/c1-2-11-22(12-3-1)29-25-14-6-7-15-26(25)33-30(24-19-18-21-10-4-5-13-23(21)20-24)31(29)36-32-34-27-16-8-9-17-28(27)35-32/h1-20H
InChIKeyPXGGZQRHKJPSGN-UHFFFAOYSA-N
MW496.66 g/mol
LogP9.48
Rot. Bonds4

About 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole

2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole (PubChem CID 56641876) has the molecular formula C32H20N2S2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole
PubChem CID56641876
Molecular FormulaC32H20N2S2
Molecular Weight496.66 g/mol
Exact Mass496.11
IUPAC Name2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole
SMILESc1ccc(-c2c(Sc3nc4ccccc4s3)c(-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C32H20N2S2/c1-2-11-22(12-3-1)29-25-14-6-7-15-26(25)33-30(24-19-18-21-10-4-5-13-23(21)20-24)31(29)36-32-34-27-16-8-9-17-28(27)35-32/h1-20H
InChIKeyPXGGZQRHKJPSGN-UHFFFAOYSA-N
XLogP9.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole?
The IUPAC name of 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole (CID 56641876) is 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole is c1ccc(-c2c(Sc3nc4ccccc4s3)c(-c3ccc4ccccc4c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole?
The InChIKey is PXGGZQRHKJPSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S2/c1-2-11-22(12-3-1)29-25-14-6-7-15-26(25)33-30(24-19-18-21-10-4-5-13-23(21)20-24)31(29)36-32-34-27-16-8-9-17-28(27)35-32/h1-20H.
What are the key properties of 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole?
2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole has a molecular weight of 496.66 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanyl-1,3-benzothiazole is sourced from PubChem (CID 56641876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).