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

C159H96N12S5 — CID 163501984

IUPAC9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H36N4S.2C51H30N4S2/c1-5-18-37(19-6-1)41-32-42(38-20-7-2-8-21-38)34-43(33-41)56-58-55(40-24-11-4-12-25-40)59-57(60-56)49-36-44(61-50-29-15-13-26-46(50)47-27-14-16-30-51(47)61)35-48-53-45(39-22-9-3-10-23-39)28-17-31-52(53)62-54(48)49;1-3-14-31(15-4-1)35-21-13-25-46-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-46)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-45-39(28-33)38-20-9-12-24-44(38)56-45;1-3-14-31(15-4-1)35-21-13-25-45-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-39-38-20-9-12-24-44(38)56-46(39)28-33/h1-36H;2*1-30H/i3D,9D,10D,22D,23D;;1D,3D,4D,14D,15D
InChIKeyCVNVJYMCPJDDBW-ZUCPXOFHSA-N
MW2345.00 g/mol
LogP44.08
Rot. Bonds17

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

9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole (PubChem CID 163501984) has the molecular formula C159H96N12S5 and a molecular weight of 2345.00 g/mol. Its IUPAC name is 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
PubChem CID163501984
Molecular FormulaC159H96N12S5
Molecular Weight2345.00 g/mol
Exact Mass2342.71
IUPAC Name9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H36N4S.2C51H30N4S2/c1-5-18-37(19-6-1)41-32-42(38-20-7-2-8-21-38)34-43(33-41)56-58-55(40-24-11-4-12-25-40)59-57(60-56)49-36-44(61-50-29-15-13-26-46(50)47-27-14-16-30-51(47)61)35-48-53-45(39-22-9-3-10-23-39)28-17-31-52(53)62-54(48)49;1-3-14-31(15-4-1)35-21-13-25-46-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-46)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-45-39(28-33)38-20-9-12-24-44(38)56-45;1-3-14-31(15-4-1)35-21-13-25-45-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-39-38-20-9-12-24-44(38)56-46(39)28-33/h1-36H;2*1-30H/i3D,9D,10D,22D,23D;;1D,3D,4D,14D,15D
InChIKeyCVNVJYMCPJDDBW-ZUCPXOFHSA-N
XLogP44.08
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.00
LogP ≤ 544.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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

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Related Compounds

9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole
CID 163958327
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole
CID 162780481
9-[9-(2,3,4,5,6-pentadeuteriophenyl)-4-(4-phenyl-6-triphenylen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 162780560
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 162780319
9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 160903722
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]carbazole
CID 157328145
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780363
9-[4-(2-carbazol-9-yl-8-phenyldibenzothiophen-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 162780614
2-[6,8-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-1-yl]-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 171050676
9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
CID 158503145
2-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;1-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-[2-carbazol-9-yl-7-(3-phenylphenyl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163558048
9-[4-[4-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-3-yl-1,3,5-triazin-2-yl]-7-phenyldibenzothiophen-2-yl]carbazole
CID 163802533

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole (CID 163501984) is 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cccc3sc4c(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)cc(-n5c6ccccc6c6ccccc65)cc4c23)c([2H])c1[2H].c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
The InChIKey is CVNVJYMCPJDDBW-ZUCPXOFHSA-N. The full InChI is InChI=1S/C57H36N4S.2C51H30N4S2/c1-5-18-37(19-6-1)41-32-42(38-20-7-2-8-21-38)34-43(33-41)56-58-55(40-24-11-4-12-25-40)59-57(60-56)49-36-44(61-50-29-15-13-26-46(50)47-27-14-16-30-51(47)61)35-48-53-45(39-22-9-3-10-23-39)28-17-31-52(53)62-54(48)49;1-3-14-31(15-4-1)35-21-13-25-46-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-46)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-45-39(28-33)38-20-9-12-24-44(38)56-45;1-3-14-31(15-4-1)35-21-13-25-45-47(35)40-29-34(55-42-22-10-7-18-36(42)37-19-8-11-23-43(37)55)30-41(48(40)57-45)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-39-38-20-9-12-24-44(38)56-46(39)28-33/h1-36H;2*1-30H/i3D,9D,10D,22D,23D;;1D,3D,4D,14D,15D.
What are the key properties of 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole?
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole has a molecular weight of 2345.00 g/mol, XLogP of 44.08, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 163501984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).