2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole

C41H23N5OS2 — CID 146808285

IUPAC2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)nc(-c3cccc4sc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C41H23N5OS2/c1-2-10-24(11-3-1)37-44-38(25-20-22-26(23-21-25)41-43-30-15-5-7-17-32(30)49-41)46-39(45-37)27-12-8-18-33-35(27)36-28(13-9-19-34(36)48-33)40-42-29-14-4-6-16-31(29)47-40/h1-23H
InChIKeyRZNVSYVTRYMGRF-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.33
Rot. Bonds5

About 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole

2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole (PubChem CID 146808285) has the molecular formula C41H23N5OS2 and a molecular weight of 665.80 g/mol. Its IUPAC name is 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole
PubChem CID146808285
Molecular FormulaC41H23N5OS2
Molecular Weight665.80 g/mol
Exact Mass665.13
IUPAC Name2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)nc(-c3cccc4sc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1
InChIInChI=1S/C41H23N5OS2/c1-2-10-24(11-3-1)37-44-38(25-20-22-26(23-21-25)41-43-30-15-5-7-17-32(30)49-41)46-39(45-37)27-12-8-18-33-35(27)36-28(13-9-19-34(36)48-33)40-42-29-14-4-6-16-31(29)47-40/h1-23H
InChIKeyRZNVSYVTRYMGRF-UHFFFAOYSA-N
XLogP11.33
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole (CID 146808285) is 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5s4)cc3)nc(-c3cccc4sc5cccc(-c6nc7ccccc7o6)c5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole?
The InChIKey is RZNVSYVTRYMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5OS2/c1-2-10-24(11-3-1)37-44-38(25-20-22-26(23-21-25)41-43-30-15-5-7-17-32(30)49-41)46-39(45-37)27-12-8-18-33-35(27)36-28(13-9-19-34(36)48-33)40-42-29-14-4-6-16-31(29)47-40/h1-23H.
What are the key properties of 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole?
2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole has a molecular weight of 665.80 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[4-(1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 146808285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).