4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole

C51H30N4S2 — CID 160649788

IUPAC4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)39-20-12-24-45-48(39)38-18-8-10-23-43(38)56-45)33-26-28-44-40(29-33)36-27-25-32(30-46(36)57-44)35-19-11-22-42-47(35)37-17-7-9-21-41(37)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyDYDJJSXOWWHGQD-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

About 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole

4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole (PubChem CID 160649788) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
PubChem CID160649788
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4sc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)39-20-12-24-45-48(39)38-18-8-10-23-43(38)56-45)33-26-28-44-40(29-33)36-27-25-32(30-46(36)57-44)35-19-11-22-42-47(35)37-17-7-9-21-41(37)55(42)34-15-5-2-6-16-34/h1-30H
InChIKeyDYDJJSXOWWHGQD-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 160988375
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 161430165
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 146572320
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169011469
2-dibenzothiophen-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;4-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163610821

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The IUPAC name of 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole (CID 160649788) is 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4sc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
The InChIKey is DYDJJSXOWWHGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)39-20-12-24-45-48(39)38-18-8-10-23-43(38)56-45)33-26-28-44-40(29-33)36-27-25-32(30-46(36)57-44)35-19-11-22-42-47(35)37-17-7-9-21-41(37)55(42)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole?
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 160649788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).