2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine

C45H25N3S3 — CID 139305040

IUPAC2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C45H25N3S3/c1-4-20-35-29(13-1)30-17-8-19-34(42(30)51-35)45-47-43(46-44(48-45)33-18-10-24-39-41(33)32-15-3-6-22-37(32)50-39)27-12-7-11-26(25-27)28-16-9-23-38-40(28)31-14-2-5-21-36(31)49-38/h1-25H
InChIKeySCUWIESILFPLBT-UHFFFAOYSA-N
MW703.92 g/mol
LogP13.64
Rot. Bonds4

About 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine (PubChem CID 139305040) has the molecular formula C45H25N3S3 and a molecular weight of 703.92 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
PubChem CID139305040
Molecular FormulaC45H25N3S3
Molecular Weight703.92 g/mol
Exact Mass703.12
IUPAC Name2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C45H25N3S3/c1-4-20-35-29(13-1)30-17-8-19-34(42(30)51-35)45-47-43(46-44(48-45)33-18-10-24-39-41(33)32-15-3-6-22-37(32)50-39)27-12-7-11-26(25-27)28-16-9-23-38-40(28)31-14-2-5-21-36(31)49-38/h1-25H
InChIKeySCUWIESILFPLBT-UHFFFAOYSA-N
XLogP13.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.92
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304577
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine (CID 139305040) is 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is SCUWIESILFPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3S3/c1-4-20-35-29(13-1)30-17-8-19-34(42(30)51-35)45-47-43(46-44(48-45)33-18-10-24-39-41(33)32-15-3-6-22-37(32)50-39)27-12-7-11-26(25-27)28-16-9-23-38-40(28)31-14-2-5-21-36(31)49-38/h1-25H.
What are the key properties of 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 703.92 g/mol, XLogP of 13.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139305040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).