2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole

C80H44N8O4S2 — CID 158470283

IUPAC2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1
InChIInChI=1S/2C40H22N4O2S/c1-2-11-23(12-3-1)37-42-38(26-15-9-20-31-34(26)24-13-4-6-19-30(24)45-31)44-39(43-37)27-16-10-21-32-35(27)25-14-8-17-28(36(25)46-32)40-41-29-18-5-7-22-33(29)47-40;1-2-10-23(11-3-1)37-42-38(24-20-21-32-29(22-24)25-12-4-6-17-31(25)45-32)44-39(43-37)27-14-9-18-33-35(27)26-13-8-15-28(36(26)46-33)40-41-30-16-5-7-19-34(30)47-40/h2*1-22H
InChIKeyHGGOFDYFQASKCI-UHFFFAOYSA-N
MW1245.42 g/mol
LogP21.90
Rot. Bonds8

About 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole

2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole (PubChem CID 158470283) has the molecular formula C80H44N8O4S2 and a molecular weight of 1245.42 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
PubChem CID158470283
Molecular FormulaC80H44N8O4S2
Molecular Weight1245.42 g/mol
Exact Mass1244.29
IUPAC Name2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1
InChIInChI=1S/2C40H22N4O2S/c1-2-11-23(12-3-1)37-42-38(26-15-9-20-31-34(26)24-13-4-6-19-30(24)45-31)44-39(43-37)27-16-10-21-32-35(27)25-14-8-17-28(36(25)46-32)40-41-29-18-5-7-22-33(29)47-40;1-2-10-23(11-3-1)37-42-38(24-20-21-32-29(22-24)25-12-4-6-17-31(25)45-32)44-39(43-37)27-14-9-18-33-35(27)26-13-8-15-28(36(26)46-33)40-41-30-16-5-7-19-34(30)47-40/h2*1-22H
InChIKeyHGGOFDYFQASKCI-UHFFFAOYSA-N
XLogP21.90
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.42
LogP ≤ 521.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 160807672
2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 148914792
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-1,3-benzothiazole
CID 157194991
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
CID 147780895
2-[4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 161158344
2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 149158091
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzofuran-4-yl]-1,3-benzothiazole
CID 158968837
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-1,3-benzothiazole
CID 147663496
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 147919210
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole;2-[3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-1,3-benzothiazole
CID 161014301

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole (CID 158470283) is 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5c(-c6nc7ccccc7s6)cccc5c34)n2)cc1.
What is the InChIKey of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole?
The InChIKey is HGGOFDYFQASKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H22N4O2S/c1-2-11-23(12-3-1)37-42-38(26-15-9-20-31-34(26)24-13-4-6-19-30(24)45-31)44-39(43-37)27-16-10-21-32-35(27)25-14-8-17-28(36(25)46-32)40-41-29-18-5-7-22-33(29)47-40;1-2-10-23(11-3-1)37-42-38(24-20-21-32-29(22-24)25-12-4-6-17-31(25)45-32)44-39(43-37)27-14-9-18-33-35(27)26-13-8-15-28(36(26)46-33)40-41-30-16-5-7-19-34(30)47-40/h2*1-22H.
What are the key properties of 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole?
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole has a molecular weight of 1245.42 g/mol, XLogP of 21.90, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 158470283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).