4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole

C43H27N5S — CID 146964994

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5sc(-c6ccccc6)nc45)c3)n2)cc1
InChIInChI=1S/C43H27N5S/c1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)34-26-32(35-21-10-19-28-20-12-24-44-38(28)35)25-33(27-34)36-22-11-23-37-39(36)45-43(49-37)31-17-8-3-9-18-31/h1-27H
InChIKeyALIBASBISXOHHQ-UHFFFAOYSA-N
MW645.79 g/mol
LogP11.03
Rot. Bonds6

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole (PubChem CID 146964994) has the molecular formula C43H27N5S and a molecular weight of 645.79 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
PubChem CID146964994
Molecular FormulaC43H27N5S
Molecular Weight645.79 g/mol
Exact Mass645.20
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5sc(-c6ccccc6)nc45)c3)n2)cc1
InChIInChI=1S/C43H27N5S/c1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)34-26-32(35-21-10-19-28-20-12-24-44-38(28)35)25-33(27-34)36-22-11-23-37-39(36)45-43(49-37)31-17-8-3-9-18-31/h1-27H
InChIKeyALIBASBISXOHHQ-UHFFFAOYSA-N
XLogP11.03
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.79
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-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

4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
2-phenyl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-1,3-benzothiazole
CID 147940482
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310227
8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 153466143
4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310370
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
2-(4-phenylphenyl)-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411875
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
CID 153310259
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
CID 154954930

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole (CID 146964994) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5cccnc45)cc(-c4cccc5sc(-c6ccccc6)nc45)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole?
The InChIKey is ALIBASBISXOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5S/c1-4-13-29(14-5-1)40-46-41(30-15-6-2-7-16-30)48-42(47-40)34-26-32(35-21-10-19-28-20-12-24-44-38(28)35)25-33(27-34)36-22-11-23-37-39(36)45-43(49-37)31-17-8-3-9-18-31/h1-27H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole has a molecular weight of 645.79 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 146964994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).