3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole

C51H32N4S2 — CID 163899540

IUPAC3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc4sc5ccccc5c34)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-29-35(30-47-48(41)38-19-9-12-22-45(38)57-47)55-42-20-10-7-17-36(42)39-27-33(23-25-43(39)55)34-24-26-46-40(28-34)37-18-8-11-21-44(37)56-46/h1-30,49H,(H,52,53,54)
InChIKeyQIPONUGLGNMZCH-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

About 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole

3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 163899540) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
PubChem CID163899540
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc4sc5ccccc5c34)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-29-35(30-47-48(41)38-19-9-12-22-45(38)57-47)55-42-20-10-7-17-36(42)39-27-33(23-25-43(39)55)34-24-26-46-40(28-34)37-18-8-11-21-44(37)56-46/h1-30,49H,(H,52,53,54)
InChIKeyQIPONUGLGNMZCH-UHFFFAOYSA-N
XLogP13.68
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.98
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole (CID 163899540) is 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc4sc5ccccc5c34)=N2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole?
The InChIKey is QIPONUGLGNMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-29-35(30-47-48(41)38-19-9-12-22-45(38)57-47)55-42-20-10-7-17-36(42)39-27-33(23-25-43(39)55)34-24-26-46-40(28-34)37-18-8-11-21-44(37)56-46/h1-30,49H,(H,52,53,54).
What are the key properties of 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole?
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 764.98 g/mol, XLogP of 13.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 163899540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).