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

C44H26N4OS — CID 167127130

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7sc(-c8ccccc8)nc7cc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-13-27(14-5-1)41-46-42(28-15-6-2-7-16-28)48-43(47-41)34-24-23-32(30-19-10-11-20-31(30)34)33-21-12-22-37-40(33)35-25-36-39(26-38(35)49-37)50-44(45-36)29-17-8-3-9-18-29/h1-26H
InChIKeyIIADZPHNKIIRDQ-UHFFFAOYSA-N
MW658.79 g/mol
LogP11.87
Rot. Bonds5

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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167127130) has the molecular formula C44H26N4OS and a molecular weight of 658.79 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167127130
Molecular FormulaC44H26N4OS
Molecular Weight658.79 g/mol
Exact Mass658.18
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7sc(-c8ccccc8)nc7cc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-13-27(14-5-1)41-46-42(28-15-6-2-7-16-28)48-43(47-41)34-24-23-32(30-19-10-11-20-31(30)34)33-21-12-22-37-40(33)35-25-36-39(26-38(35)49-37)50-44(45-36)29-17-8-3-9-18-29/h1-26H
InChIKeyIIADZPHNKIIRDQ-UHFFFAOYSA-N
XLogP11.87
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127109
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129045
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
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-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
6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 170681693
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167129871
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129390
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455774

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 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) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7sc(-c8ccccc8)nc7cc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is IIADZPHNKIIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4OS/c1-4-13-27(14-5-1)41-46-42(28-15-6-2-7-16-28)48-43(47-41)34-24-23-32(30-19-10-11-20-31(30)34)33-21-12-22-37-40(33)35-25-36-39(26-38(35)49-37)50-44(45-36)29-17-8-3-9-18-29/h1-26H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole has a molecular weight of 658.79 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167127130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).