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

C45H27N3S2 — CID 170199475

IUPAC2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)36-25-32(26-37-33-19-10-11-21-38(33)50-42(36)37)31-23-24-34-40(27-31)49-39-22-12-20-35(41(34)39)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyYETYMRBJYTXFCG-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

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

2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 170199475) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID170199475
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)36-25-32(26-37-33-19-10-11-21-38(33)50-42(36)37)31-23-24-34-40(27-31)49-39-22-12-20-35(41(34)39)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyYETYMRBJYTXFCG-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-phenyl-4-[7-(2-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200225
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302
2-[4-[4-(6,8-diphenyldibenzothiophen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838501
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
2-phenyl-4-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200101
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155470926
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine (CID 170199475) is 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6cc(-c7ccccc7)c7sc8ccccc8c7c6)ccc5c34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is YETYMRBJYTXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-4-13-28(14-5-1)36-25-32(26-37-33-19-10-11-21-38(33)50-42(36)37)31-23-24-34-40(27-31)49-39-22-12-20-35(41(34)39)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 673.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170199475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).