9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole

C171H102N12O2S4 — CID 163659683

IUPAC9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/2C57H34N4OS.C57H34N4S2/c1-4-17-35(18-5-1)39-25-14-29-45-48-34-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)33-47(54(48)63-53(39)45)44-28-15-26-42-43-27-16-30-46(52(43)62-51(42)44)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37;1-4-16-35(17-5-1)40-24-14-25-43-46-34-39(61-48-27-12-10-22-41(48)42-23-11-13-28-49(42)61)33-45(54(46)63-53(40)43)38-30-31-50-47(32-38)52-44(26-15-29-51(52)62-50)57-59-55(36-18-6-2-7-19-36)58-56(60-57)37-20-8-3-9-21-37;1-4-17-35(18-5-1)39-25-14-28-44-47-33-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)34-48(54(47)62-51(39)44)45-29-15-26-42-43-27-16-30-46(53(43)63-52(42)45)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37/h3*1-34H/i2D,6D,7D,19D,20D;1D,4D,5D,16D,17D;1D,4D,5D,17D,18D
InChIKeyITHRCTIMBCILKE-DFIMJGOYSA-N
MW2500.14 g/mol
LogP47.18
Rot. Bonds18

About 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole (PubChem CID 163659683) has the molecular formula C171H102N12O2S4 and a molecular weight of 2500.14 g/mol. Its IUPAC name is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole
PubChem CID163659683
Molecular FormulaC171H102N12O2S4
Molecular Weight2500.14 g/mol
Exact Mass2497.81
IUPAC Name9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/2C57H34N4OS.C57H34N4S2/c1-4-17-35(18-5-1)39-25-14-29-45-48-34-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)33-47(54(48)63-53(39)45)44-28-15-26-42-43-27-16-30-46(52(43)62-51(42)44)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37;1-4-16-35(17-5-1)40-24-14-25-43-46-34-39(61-48-27-12-10-22-41(48)42-23-11-13-28-49(42)61)33-45(54(46)63-53(40)43)38-30-31-50-47(32-38)52-44(26-15-29-51(52)62-50)57-59-55(36-18-6-2-7-19-36)58-56(60-57)37-20-8-3-9-21-37;1-4-17-35(18-5-1)39-25-14-28-44-47-33-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)34-48(54(47)62-51(39)44)45-29-15-26-42-43-27-16-30-46(53(43)63-52(42)45)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37/h3*1-34H/i2D,6D,7D,19D,20D;1D,4D,5D,16D,17D;1D,4D,5D,17D,18D
InChIKeyITHRCTIMBCILKE-DFIMJGOYSA-N
XLogP47.18
TPSA157.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002500.14
LogP ≤ 547.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

CID 129224921
CID 129224921
CID 134223481
CID 134223481
CID 134223489
CID 134223489
CID 134223496
CID 134223496
CID 134223660
CID 134223660
CID 134223690
CID 134223690
CID 134224864
CID 134224864
CID 160644589
CID 160644589
CID 160780233
CID 160780233
CID 160780344
CID 160780344
CID 163563948
CID 163563948
CID 163643732
CID 163643732

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole (CID 163659683) is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3c2sc2c(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)cc(-n4c5ccccc5c5ccccc54)cc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5c(-c7ccccc7)cccc56)cccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole?
The InChIKey is ITHRCTIMBCILKE-DFIMJGOYSA-N. The full InChI is InChI=1S/2C57H34N4OS.C57H34N4S2/c1-4-17-35(18-5-1)39-25-14-29-45-48-34-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)33-47(54(48)63-53(39)45)44-28-15-26-42-43-27-16-30-46(52(43)62-51(42)44)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37;1-4-16-35(17-5-1)40-24-14-25-43-46-34-39(61-48-27-12-10-22-41(48)42-23-11-13-28-49(42)61)33-45(54(46)63-53(40)43)38-30-31-50-47(32-38)52-44(26-15-29-51(52)62-50)57-59-55(36-18-6-2-7-19-36)58-56(60-57)37-20-8-3-9-21-37;1-4-17-35(18-5-1)39-25-14-28-44-47-33-38(61-49-31-12-10-23-40(49)41-24-11-13-32-50(41)61)34-48(54(47)62-51(39)44)45-29-15-26-42-43-27-16-30-46(53(43)63-52(42)45)57-59-55(36-19-6-2-7-20-36)58-56(60-57)37-21-8-3-9-22-37/h3*1-34H/i2D,6D,7D,19D,20D;1D,4D,5D,16D,17D;1D,4D,5D,17D,18D.
What are the key properties of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole?
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole has a molecular weight of 2500.14 g/mol, XLogP of 47.18, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-6-phenyldibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163659683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).