2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine

C48H30N6OS — CID 155050262

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)n3)c2)cc1
InChIInChI=1S/C48H30N6OS/c1-5-14-31(15-6-1)43-49-44(32-16-7-2-8-17-32)53-48(52-43)36-24-26-39-40-29-35(25-27-41(40)56-42(39)30-36)47-51-45(33-18-9-3-10-19-33)50-46(54-47)34-20-13-23-38(28-34)55-37-21-11-4-12-22-37/h1-30H
InChIKeyITOWSHBZKKHTDK-UHFFFAOYSA-N
MW738.88 g/mol
LogP12.22
Rot. Bonds8

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 155050262) has the molecular formula C48H30N6OS and a molecular weight of 738.88 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine
PubChem CID155050262
Molecular FormulaC48H30N6OS
Molecular Weight738.88 g/mol
Exact Mass738.22
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)n3)c2)cc1
InChIInChI=1S/C48H30N6OS/c1-5-14-31(15-6-1)43-49-44(32-16-7-2-8-17-32)53-48(52-43)36-24-26-39-40-29-35(25-27-41(40)56-42(39)30-36)47-51-45(33-18-9-3-10-19-33)50-46(54-47)34-20-13-23-38(28-34)55-37-21-11-4-12-22-37/h1-30H
InChIKeyITOWSHBZKKHTDK-UHFFFAOYSA-N
XLogP12.22
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.88
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine;2-[3-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenol
CID 159884545
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine (CID 155050262) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine is c1ccc(Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)n3)c2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is ITOWSHBZKKHTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6OS/c1-5-14-31(15-6-1)43-49-44(32-16-7-2-8-17-32)53-48(52-43)36-24-26-39-40-29-35(25-27-41(40)56-42(39)30-36)47-51-45(33-18-9-3-10-19-33)50-46(54-47)34-20-13-23-38(28-34)55-37-21-11-4-12-22-37/h1-30H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 738.88 g/mol, XLogP of 12.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenoxyphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155050262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).