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

C54H32N6S2 — CID 146648181

IUPAC2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C54H32N6S2/c1-4-14-33(15-5-1)49-56-52(58-53(57-49)38-25-28-42-40-20-10-12-22-45(40)62-48(42)32-38)37-24-27-39(36-26-29-47-43(30-36)41-21-11-13-23-46(41)61-47)44(31-37)54-59-50(34-16-6-2-7-17-34)55-51(60-54)35-18-8-3-9-19-35/h1-32H
InChIKeyDYAIGLGOQQDTOH-UHFFFAOYSA-N
MW829.03 g/mol
LogP14.46
Rot. Bonds7

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

2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146648181) has the molecular formula C54H32N6S2 and a molecular weight of 829.03 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146648181
Molecular FormulaC54H32N6S2
Molecular Weight829.03 g/mol
Exact Mass828.21
IUPAC Name2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C54H32N6S2/c1-4-14-33(15-5-1)49-56-52(58-53(57-49)38-25-28-42-40-20-10-12-22-45(40)62-48(42)32-38)37-24-27-39(36-26-29-47-43(30-36)41-21-11-13-23-46(41)61-47)44(31-37)54-59-50(34-16-6-2-7-17-34)55-51(60-54)35-18-8-3-9-19-35/h1-32H
InChIKeyDYAIGLGOQQDTOH-UHFFFAOYSA-N
XLogP14.46
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.03
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
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-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
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-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 163715789
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 146648181) is 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is DYAIGLGOQQDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6S2/c1-4-14-33(15-5-1)49-56-52(58-53(57-49)38-25-28-42-40-20-10-12-22-45(40)62-48(42)32-38)37-24-27-39(36-26-29-47-43(30-36)41-21-11-13-23-46(41)61-47)44(31-37)54-59-50(34-16-6-2-7-17-34)55-51(60-54)35-18-8-3-9-19-35/h1-32H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 829.03 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146648181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).