8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole

C46H26N4OS2 — CID 171456109

IUPAC8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4cc6sc(-c7ccccc7)nc6cc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4OS2/c1-4-13-27(14-5-1)43-48-44(28-15-6-2-7-16-28)50-45(49-43)34-24-23-30(41-40(34)33-19-10-11-22-37(33)51-41)31-20-12-21-32-35-25-36-39(26-38(35)52-42(31)32)53-46(47-36)29-17-8-3-9-18-29/h1-26H
InChIKeyGWISTJVHSKJLNO-UHFFFAOYSA-N
MW714.88 g/mol
LogP13.08
Rot. Bonds5

About 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole

8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole (PubChem CID 171456109) has the molecular formula C46H26N4OS2 and a molecular weight of 714.88 g/mol. Its IUPAC name is 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
PubChem CID171456109
Molecular FormulaC46H26N4OS2
Molecular Weight714.88 g/mol
Exact Mass714.15
IUPAC Name8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4cc6sc(-c7ccccc7)nc6cc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4OS2/c1-4-13-27(14-5-1)43-48-44(28-15-6-2-7-16-28)50-45(49-43)34-24-23-30(41-40(34)33-19-10-11-22-37(33)51-41)31-20-12-21-32-35-25-36-39(26-38(35)52-42(31)32)53-46(47-36)29-17-8-3-9-18-29/h1-26H
InChIKeyGWISTJVHSKJLNO-UHFFFAOYSA-N
XLogP13.08
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.88
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128006
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455774
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127130
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
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-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 170681693
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The IUPAC name of 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole (CID 171456109) is 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The canonical SMILES for 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4cc6sc(-c7ccccc7)nc6cc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
The InChIKey is GWISTJVHSKJLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4OS2/c1-4-13-27(14-5-1)43-48-44(28-15-6-2-7-16-28)50-45(49-43)34-24-23-30(41-40(34)33-19-10-11-22-37(33)51-41)31-20-12-21-32-35-25-36-39(26-38(35)52-42(31)32)53-46(47-36)29-17-8-3-9-18-29/h1-26H.
What are the key properties of 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole?
8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole has a molecular weight of 714.88 g/mol, XLogP of 13.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 171456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).