9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole

C52H32N4OS — CID 169010880

IUPAC9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(Cc6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c34)n2)cc1
InChIInChI=1S/C52H32N4OS/c1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)41-20-12-24-47-49(41)48-35(17-11-23-46(48)58-47)29-32-25-27-39-40-28-26-36(31-45(40)57-44(39)30-32)56-42-21-9-7-18-37(42)38-19-8-10-22-43(38)56/h1-28,30-31H,29H2
InChIKeyXHYLVTKSYXSCAC-UHFFFAOYSA-N
MW760.92 g/mol
LogP13.83
Rot. Bonds6

About 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole

9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole (PubChem CID 169010880) has the molecular formula C52H32N4OS and a molecular weight of 760.92 g/mol. Its IUPAC name is 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole
PubChem CID169010880
Molecular FormulaC52H32N4OS
Molecular Weight760.92 g/mol
Exact Mass760.23
IUPAC Name9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(Cc6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c34)n2)cc1
InChIInChI=1S/C52H32N4OS/c1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)41-20-12-24-47-49(41)48-35(17-11-23-46(48)58-47)29-32-25-27-39-40-28-26-36(31-45(40)57-44(39)30-32)56-42-21-9-7-18-37(42)38-19-8-10-22-43(38)56/h1-28,30-31H,29H2
InChIKeyXHYLVTKSYXSCAC-UHFFFAOYSA-N
XLogP13.83
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.92
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl]carbazole
CID 162781376
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 169010610
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010716
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011026
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169011395
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-17-yl]carbazole
CID 162781296
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-17-yl]carbazole
CID 162781341
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768603
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309

Frequently Asked Questions

What is the IUPAC name of 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole (CID 169010880) is 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(Cc6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c34)n2)cc1.
What is the InChIKey of 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole?
The InChIKey is XHYLVTKSYXSCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4OS/c1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)41-20-12-24-47-49(41)48-35(17-11-23-46(48)58-47)29-32-25-27-39-40-28-26-36(31-45(40)57-44(39)30-32)56-42-21-9-7-18-37(42)38-19-8-10-22-43(38)56/h1-28,30-31H,29H2.
What are the key properties of 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole?
9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole has a molecular weight of 760.92 g/mol, XLogP of 13.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]methyl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 169010880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).