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

C44H26N4OS — CID 167128038

IUPAC2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4ccccc4c3)nc(-c3c4nc(-c5ccccc5)sc4cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-14-27(15-5-1)34-25-31(24-30-20-10-11-21-32(30)34)42-46-41(28-16-6-2-7-17-28)47-43(48-42)39-38-33-22-12-13-23-35(33)49-36(38)26-37-40(39)45-44(50-37)29-18-8-3-9-19-29/h1-26H
InChIKeyAXZZGBMQOUMPSG-UHFFFAOYSA-N
MW658.79 g/mol
LogP11.87
Rot. Bonds5

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

2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167128038) has the molecular formula C44H26N4OS and a molecular weight of 658.79 g/mol. Its IUPAC name is 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167128038
Molecular FormulaC44H26N4OS
Molecular Weight658.79 g/mol
Exact Mass658.18
IUPAC Name2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4ccccc4c3)nc(-c3c4nc(-c5ccccc5)sc4cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-14-27(15-5-1)34-25-31(24-30-20-10-11-21-32(30)34)42-46-41(28-16-6-2-7-17-28)47-43(48-42)39-38-33-22-12-13-23-35(33)49-36(38)26-37-40(39)45-44(50-37)29-18-8-3-9-19-29/h1-26H
InChIKeyAXZZGBMQOUMPSG-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 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole with MolForge

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Related Compounds

2-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127566
2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130175
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
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-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130159
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167128791
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456319
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098
4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129015
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole (CID 167128038) is 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4ccccc4c3)nc(-c3c4nc(-c5ccccc5)sc4cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is AXZZGBMQOUMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4OS/c1-4-14-27(15-5-1)34-25-31(24-30-20-10-11-21-32(30)34)42-46-41(28-16-6-2-7-17-28)47-43(48-42)39-38-33-22-12-13-23-35(33)49-36(38)26-37-40(39)45-44(50-37)29-18-8-3-9-19-29/h1-26H.
What are the key properties of 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole?
2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[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 2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167128038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).