2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine

C57H33N3S2 — CID 140946712

IUPAC2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C57H33N3S2/c1-2-11-35(12-3-1)55-58-56(60-57(59-55)39-26-29-47-46-17-8-9-19-50(46)62-53(47)33-39)36-23-21-34(22-24-36)40-18-10-20-52-54(40)49-32-38(27-30-51(49)61-52)37-25-28-45-43-15-5-4-13-41(43)42-14-6-7-16-44(42)48(45)31-37/h1-33H
InChIKeyJNSQCZCJDBACHD-UHFFFAOYSA-N
MW824.05 g/mol
LogP16.40
Rot. Bonds5

About 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine

2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 140946712) has the molecular formula C57H33N3S2 and a molecular weight of 824.05 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
PubChem CID140946712
Molecular FormulaC57H33N3S2
Molecular Weight824.05 g/mol
Exact Mass823.21
IUPAC Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C57H33N3S2/c1-2-11-35(12-3-1)55-58-56(60-57(59-55)39-26-29-47-46-17-8-9-19-50(46)62-53(47)33-39)36-23-21-34(22-24-36)40-18-10-20-52-54(40)49-32-38(27-30-51(49)61-52)37-25-28-45-43-15-5-4-13-41(43)42-14-6-7-16-44(42)48(45)31-37/h1-33H
InChIKeyJNSQCZCJDBACHD-UHFFFAOYSA-N
XLogP16.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.05
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine (CID 140946712) is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is JNSQCZCJDBACHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3S2/c1-2-11-35(12-3-1)55-58-56(60-57(59-55)39-26-29-47-46-17-8-9-19-50(46)62-53(47)33-39)36-23-21-34(22-24-36)40-18-10-20-52-54(40)49-32-38(27-30-51(49)61-52)37-25-28-45-43-15-5-4-13-41(43)42-14-6-7-16-44(42)48(45)31-37/h1-33H.
What are the key properties of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 824.05 g/mol, XLogP of 16.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 140946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).