5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole

C44H24N4O2S — CID 167127132

IUPAC5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c34)n2)cc1
InChIInChI=1S/C44H24N4O2S/c1-2-10-26(11-3-1)41-46-42(28-19-20-31-30-13-6-7-15-35(30)49-37(31)22-28)48-43(47-41)32-14-8-16-36-40(32)33-23-34-39(24-38(33)50-36)51-44(45-34)29-18-17-25-9-4-5-12-27(25)21-29/h1-24H
InChIKeyHJBOYXPGWUWRAB-UHFFFAOYSA-N
MW672.77 g/mol
LogP12.10
Rot. Bonds4

About 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167127132) has the molecular formula C44H24N4O2S and a molecular weight of 672.77 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167127132
Molecular FormulaC44H24N4O2S
Molecular Weight672.77 g/mol
Exact Mass672.16
IUPAC Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c34)n2)cc1
InChIInChI=1S/C44H24N4O2S/c1-2-10-26(11-3-1)41-46-42(28-19-20-31-30-13-6-7-15-35(30)49-37(31)22-28)48-43(47-41)32-14-8-16-36-40(32)33-23-34-39(24-38(33)50-36)51-44(45-34)29-18-17-25-9-4-5-12-27(25)21-29/h1-24H
InChIKeyHJBOYXPGWUWRAB-UHFFFAOYSA-N
XLogP12.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127109
2-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127873
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
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128538
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625
2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128062
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-phenyl-5-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129217
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-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (CID 167127132) is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c34)n2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is HJBOYXPGWUWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S/c1-2-10-26(11-3-1)41-46-42(28-19-20-31-30-13-6-7-15-35(30)49-37(31)22-28)48-43(47-41)32-14-8-16-36-40(32)33-23-34-39(24-38(33)50-36)51-44(45-34)29-18-17-25-9-4-5-12-27(25)21-29/h1-24H.
What are the key properties of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole has a molecular weight of 672.77 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167127132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).