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

C51H31N3S2 — CID 167349309

IUPAC2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3S2/c1-3-15-32(16-4-1)34-29-30-41(44(31-34)36-20-8-7-19-35(36)33-17-5-2-6-18-33)49-52-50(42-25-13-23-39-37-21-9-11-27-45(37)55-47(39)42)54-51(53-49)43-26-14-24-40-38-22-10-12-28-46(38)56-48(40)43/h1-31H
InChIKeyAOSRGVWWSSHAKN-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.61
Rot. Bonds6

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

2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167349309) has the molecular formula C51H31N3S2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167349309
Molecular FormulaC51H31N3S2
Molecular Weight749.96 g/mol
Exact Mass749.20
IUPAC Name2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3S2/c1-3-15-32(16-4-1)34-29-30-41(44(31-34)36-20-8-7-19-35(36)33-17-5-2-6-18-33)49-52-50(42-25-13-23-39-37-21-9-11-27-45(37)55-47(39)42)54-51(53-49)43-26-14-24-40-38-22-10-12-28-46(38)56-48(40)43/h1-31H
InChIKeyAOSRGVWWSSHAKN-UHFFFAOYSA-N
XLogP14.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
4,6-di(dibenzothiophen-4-yl)-2-[4-phenyl-2-(3-phenylphenyl)phenyl]pyrimidine
CID 167349703
2-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164942648
2-[2-(2-dibenzothiophen-4-ylphenyl)-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174268135
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349096
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 167349309) is 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c(-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is AOSRGVWWSSHAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S2/c1-3-15-32(16-4-1)34-29-30-41(44(31-34)36-20-8-7-19-35(36)33-17-5-2-6-18-33)49-52-50(42-25-13-23-39-37-21-9-11-27-45(37)55-47(39)42)54-51(53-49)43-26-14-24-40-38-22-10-12-28-46(38)56-48(40)43/h1-31H.
What are the key properties of 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 749.96 g/mol, XLogP of 14.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).