4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine

C35H23N5S2 — CID 160858377

IUPAC4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5nc6ccccc6s5)ccc4c23)n1
InChIInChI=1S/C35H23N5S2/c1-40(24-13-6-3-7-14-24)35-38-32(22-11-4-2-5-12-22)37-33(39-35)26-15-10-18-29-31(26)25-20-19-23(21-30(25)41-29)34-36-27-16-8-9-17-28(27)42-34/h2-21H,1H3
InChIKeySKDWKBIGDBBAOJ-UHFFFAOYSA-N
MW577.74 g/mol
LogP9.62
Rot. Bonds5

About 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine

4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 160858377) has the molecular formula C35H23N5S2 and a molecular weight of 577.74 g/mol. Its IUPAC name is 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID160858377
Molecular FormulaC35H23N5S2
Molecular Weight577.74 g/mol
Exact Mass577.14
IUPAC Name4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5nc6ccccc6s5)ccc4c23)n1
InChIInChI=1S/C35H23N5S2/c1-40(24-13-6-3-7-14-24)35-38-32(22-11-4-2-5-12-22)37-33(39-35)26-15-10-18-29-31(26)25-20-19-23(21-30(25)41-29)34-36-27-16-8-9-17-28(27)42-34/h2-21H,1H3
InChIKeySKDWKBIGDBBAOJ-UHFFFAOYSA-N
XLogP9.62
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.74
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine 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-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-3-yl]-1,3-benzothiazole
CID 147631874
2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-1,3-benzothiazole
CID 147693086
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148624256
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148966592
2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 148553288
2-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456256
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455774
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
CID 159333443
2-phenyl-5-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456417

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine (CID 160858377) is 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine is CN(c1ccccc1)c1nc(-c2ccccc2)nc(-c2cccc3sc4cc(-c5nc6ccccc6s5)ccc4c23)n1.
What is the InChIKey of 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is SKDWKBIGDBBAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5S2/c1-40(24-13-6-3-7-14-24)35-38-32(22-11-4-2-5-12-22)37-33(39-35)26-15-10-18-29-31(26)25-20-19-23(21-30(25)41-29)34-36-27-16-8-9-17-28(27)42-34/h2-21H,1H3.
What are the key properties of 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine?
4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 577.74 g/mol, XLogP of 9.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1,3-benzothiazol-2-yl)dibenzothiophen-1-yl]-N-methyl-N,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 160858377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).