3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole

C138H84N12OS — CID 161473912

IUPAC3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C69H42N6O.C69H42N6S/c1-4-16-43(17-5-1)67-70-68(44-18-6-2-7-19-44)72-69(71-67)47-30-36-65-57(40-47)58-42-50(32-37-66(58)76-65)75-61-27-15-11-23-52(61)55-39-46(29-34-63(55)75)45-28-33-62-54(38-45)51-22-10-14-26-60(51)74(62)49-31-35-64-56(41-49)53-24-12-13-25-59(53)73(64)48-20-8-3-9-21-48;1-4-18-43(19-5-1)67-70-68(44-20-6-2-7-21-44)72-69(71-67)54-29-16-27-52-53-28-17-33-64(66(53)76-65(52)54)75-60-32-15-12-25-50(60)56-41-46(35-38-63(56)75)45-34-37-61-55(40-45)49-24-10-14-31-59(49)74(61)48-36-39-62-57(42-48)51-26-11-13-30-58(51)73(62)47-22-8-3-9-23-47/h2*1-42H
InChIKeyWDLOITOUZVXYBA-UHFFFAOYSA-N
MW1958.34 g/mol
LogP35.93
Rot. Bonds14

About 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole

3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 161473912) has the molecular formula C138H84N12OS and a molecular weight of 1958.34 g/mol. Its IUPAC name is 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID161473912
Molecular FormulaC138H84N12OS
Molecular Weight1958.34 g/mol
Exact Mass1956.66
IUPAC Name3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C69H42N6O.C69H42N6S/c1-4-16-43(17-5-1)67-70-68(44-18-6-2-7-19-44)72-69(71-67)47-30-36-65-57(40-47)58-42-50(32-37-66(58)76-65)75-61-27-15-11-23-52(61)55-39-46(29-34-63(55)75)45-28-33-62-54(38-45)51-22-10-14-26-60(51)74(62)49-31-35-64-56(41-49)53-24-12-13-25-59(53)73(64)48-20-8-3-9-21-48;1-4-18-43(19-5-1)67-70-68(44-20-6-2-7-21-44)72-69(71-67)54-29-16-27-52-53-28-17-33-64(66(53)76-65(52)54)75-60-32-15-12-25-50(60)56-41-46(35-38-63(56)75)45-34-37-61-55(40-45)49-24-10-14-31-59(49)74(61)48-36-39-62-57(42-48)51-26-11-13-30-58(51)73(62)47-22-8-3-9-23-47/h2*1-42H
InChIKeyWDLOITOUZVXYBA-UHFFFAOYSA-N
XLogP35.93
TPSA120.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.34
LogP ≤ 535.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 159600279
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
11-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 160601461
10-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 90211296
9-phenyl-3-[9-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 129291950
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-phenylcarbazole
CID 176725762
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 169010902
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480

Frequently Asked Questions

What is the IUPAC name of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole (CID 161473912) is 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cccc34)n2)cc1.
What is the InChIKey of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is WDLOITOUZVXYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6O.C69H42N6S/c1-4-16-43(17-5-1)67-70-68(44-18-6-2-7-19-44)72-69(71-67)47-30-36-65-57(40-47)58-42-50(32-37-66(58)76-65)75-61-27-15-11-23-52(61)55-39-46(29-34-63(55)75)45-28-33-62-54(38-45)51-22-10-14-26-60(51)74(62)49-31-35-64-56(41-49)53-24-12-13-25-59(53)73(64)48-20-8-3-9-21-48;1-4-18-43(19-5-1)67-70-68(44-20-6-2-7-21-44)72-69(71-67)54-29-16-27-52-53-28-17-33-64(66(53)76-65(52)54)75-60-32-15-12-25-50(60)56-41-46(35-38-63(56)75)45-34-37-61-55(40-45)49-24-10-14-31-59(49)74(61)48-36-39-62-57(42-48)51-26-11-13-30-58(51)73(62)47-22-8-3-9-23-47/h2*1-42H.
What are the key properties of 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole?
3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1958.34 g/mol, XLogP of 35.93, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 161473912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).