2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole

C67H41N11O — CID 126609081

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccnc9)n8)c7)o6)ccc54)c3)n2)cc1
InChIInChI=1S/C67H41N11O/c1-4-17-42(18-5-1)60-69-61(43-19-6-2-7-20-43)71-63(70-60)45-23-14-26-50(37-45)77-56-30-12-10-28-52(56)54-39-47(32-34-58(54)77)66-75-76-67(79-66)48-33-35-59-55(40-48)53-29-11-13-31-57(53)78(59)51-27-15-24-46(38-51)64-72-62(44-21-8-3-9-22-44)73-65(74-64)49-25-16-36-68-41-49/h1-41H
InChIKeyISTDUEPVYJYKRF-UHFFFAOYSA-N
MW1016.14 g/mol
LogP15.36
Rot. Bonds10

About 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 126609081) has the molecular formula C67H41N11O and a molecular weight of 1016.14 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID126609081
Molecular FormulaC67H41N11O
Molecular Weight1016.14 g/mol
Exact Mass1015.35
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccnc9)n8)c7)o6)ccc54)c3)n2)cc1
InChIInChI=1S/C67H41N11O/c1-4-17-42(18-5-1)60-69-61(43-19-6-2-7-20-43)71-63(70-60)45-23-14-26-50(37-45)77-56-30-12-10-28-52(56)54-39-47(32-34-58(54)77)66-75-76-67(79-66)48-33-35-59-55(40-48)53-29-11-13-31-57(53)78(59)51-27-15-24-46(38-51)64-72-62(44-21-8-3-9-22-44)73-65(74-64)49-25-16-36-68-41-49/h1-41H
InChIKeyISTDUEPVYJYKRF-UHFFFAOYSA-N
XLogP15.36
TPSA139.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.14
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904
2-[9-[3-(4,6-Diethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 62707567
5-[3-(4-phenylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554726
5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555073
2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 68328682
2-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-5-phenyl-1,3,4-oxadiazole
CID 90256741
5-[3-[4-[(3S)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 126962078
US11420958, Ex. No. 367
CID 154639988
US11420958, Ex. No. 227
CID 154639935
US11420958, Ex. No. 244
CID 154640079
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
3-(5-(4-(Pyridine-2-yl)phenyl)-1,3,4-oxadiazol-2-yl)-9-hexyl-9h-carbazole
CID 101955359

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole (CID 126609081) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccnc9)n8)c7)o6)ccc54)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is ISTDUEPVYJYKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N11O/c1-4-17-42(18-5-1)60-69-61(43-19-6-2-7-20-43)71-63(70-60)45-23-14-26-50(37-45)77-56-30-12-10-28-52(56)54-39-47(32-34-58(54)77)66-75-76-67(79-66)48-33-35-59-55(40-48)53-29-11-13-31-57(53)78(59)51-27-15-24-46(38-51)64-72-62(44-21-8-3-9-22-44)73-65(74-64)49-25-16-36-68-41-49/h1-41H.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 1016.14 g/mol, XLogP of 15.36, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-[9-[3-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 126609081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).