7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole

C46H26N4O2S — CID 167128006

IUPAC7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4cc5c(cc4s3)oc3cc(-c4nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n4)ccc35)cc2)cc1
InChIInChI=1S/C46H26N4O2S/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)46-47-36-25-35-32-23-22-31(24-39(32)52-40(35)26-41(36)53-46)44-48-43(29-12-5-2-6-13-29)49-45(50-44)34-15-9-17-38-42(34)33-14-7-8-16-37(33)51-38/h1-26H
InChIKeyNXVBWRJOEXWTGG-UHFFFAOYSA-N
MW698.81 g/mol
LogP12.62
Rot. Bonds5

About 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole

7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167128006) has the molecular formula C46H26N4O2S and a molecular weight of 698.81 g/mol. Its IUPAC name is 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167128006
Molecular FormulaC46H26N4O2S
Molecular Weight698.81 g/mol
Exact Mass698.18
IUPAC Name7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4cc5c(cc4s3)oc3cc(-c4nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n4)ccc35)cc2)cc1
InChIInChI=1S/C46H26N4O2S/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)46-47-36-25-35-32-23-22-31(24-39(32)52-40(35)26-41(36)53-46)44-48-43(29-12-5-2-6-13-29)49-45(50-44)34-15-9-17-38-42(34)33-14-7-8-16-37(33)51-38/h1-26H
InChIKeyNXVBWRJOEXWTGG-UHFFFAOYSA-N
XLogP12.62
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole with MolForge

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Related Compounds

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-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128538
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
6-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 170681693
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-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
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
8-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167124525
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 148553288

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 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) is 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2ccc(-c3nc4cc5c(cc4s3)oc3cc(-c4nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n4)ccc35)cc2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is NXVBWRJOEXWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2S/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)46-47-36-25-35-32-23-22-31(24-39(32)52-40(35)26-41(36)53-46)44-48-43(29-12-5-2-6-13-29)49-45(50-44)34-15-9-17-38-42(34)33-14-7-8-16-37(33)51-38/h1-26H.
What are the key properties of 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole?
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole has a molecular weight of 698.81 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167128006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).