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

C31H19N3S — CID 163592930

IUPAC2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C31H19N3S/c1-2-8-23-19-24(18-13-20(23)7-1)30-32-26-10-4-3-9-25(26)29(34-30)21-14-16-22(17-15-21)31-33-27-11-5-6-12-28(27)35-31/h1-19H
InChIKeyGRAAUQGGFZJCFT-UHFFFAOYSA-N
MW465.58 g/mol
LogP8.39
Rot. Bonds3

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

2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole (PubChem CID 163592930) has the molecular formula C31H19N3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
PubChem CID163592930
Molecular FormulaC31H19N3S
Molecular Weight465.58 g/mol
Exact Mass465.13
IUPAC Name2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C31H19N3S/c1-2-8-23-19-24(18-13-20(23)7-1)30-32-26-10-4-3-9-25(26)29(34-30)21-14-16-22(17-15-21)31-33-27-11-5-6-12-28(27)35-31/h1-19H
InChIKeyGRAAUQGGFZJCFT-UHFFFAOYSA-N
XLogP8.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-phenylquinazolin-4-yl)phenyl]-1,3-benzothiazole
CID 163686258
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-[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
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]-1,3-benzothiazole
CID 122665649
4-naphthalen-2-yl-2-(1-naphthalen-2-yldibenzothiophen-3-yl)quinazoline
CID 174328845
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
CID 153310078
2-[6-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]anthracen-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158664399

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole (CID 163592930) is 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole is c1ccc2cc(-c3nc(-c4ccc(-c5nc6ccccc6s5)cc4)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole?
The InChIKey is GRAAUQGGFZJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S/c1-2-8-23-19-24(18-13-20(23)7-1)30-32-26-10-4-3-9-25(26)29(34-30)21-14-16-22(17-15-21)31-33-27-11-5-6-12-28(27)35-31/h1-19H.
What are the key properties of 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole?
2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole has a molecular weight of 465.58 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 163592930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).