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

C48H30N6S — CID 155049982

IUPAC2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)n3)c2)cc1
InChIInChI=1S/C48H30N6S/c1-5-14-31(15-6-1)35-22-13-23-36(28-35)46-50-45(34-20-11-4-12-21-34)53-48(54-46)38-24-26-39-40-29-37(25-27-41(40)55-42(39)30-38)47-51-43(32-16-7-2-8-17-32)49-44(52-47)33-18-9-3-10-19-33/h1-30H
InChIKeyXOTAEYOHBCYVNS-UHFFFAOYSA-N
MW722.88 g/mol
LogP12.09
Rot. Bonds7

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

2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine (PubChem CID 155049982) has the molecular formula C48H30N6S and a molecular weight of 722.88 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
PubChem CID155049982
Molecular FormulaC48H30N6S
Molecular Weight722.88 g/mol
Exact Mass722.23
IUPAC Name2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)n3)c2)cc1
InChIInChI=1S/C48H30N6S/c1-5-14-31(15-6-1)35-22-13-23-36(28-35)46-50-45(34-20-11-4-12-21-34)53-48(54-46)38-24-26-39-40-29-37(25-27-41(40)55-42(39)30-38)47-51-43(32-16-7-2-8-17-32)49-44(52-47)33-18-9-3-10-19-33/h1-30H
InChIKeyXOTAEYOHBCYVNS-UHFFFAOYSA-N
XLogP12.09
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.88
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
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-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-[7-(3,5-diphenylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 166952939
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc45)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine?
The InChIKey is XOTAEYOHBCYVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6S/c1-5-14-31(15-6-1)35-22-13-23-36(28-35)46-50-45(34-20-11-4-12-21-34)53-48(54-46)38-24-26-39-40-29-37(25-27-41(40)55-42(39)30-38)47-51-43(32-16-7-2-8-17-32)49-44(52-47)33-18-9-3-10-19-33/h1-30H.
What are the key properties of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine has a molecular weight of 722.88 g/mol, XLogP of 12.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 155049982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).