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

C53H33N7O — CID 122593796

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1
InChIInChI=1S/C53H33N7O/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38/h1-33H
InChIKeyAUVLESGOYDCNQG-UHFFFAOYSA-N
MW783.90 g/mol
LogP12.78
Rot. Bonds7

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

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole (PubChem CID 122593796) has the molecular formula C53H33N7O and a molecular weight of 783.90 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
PubChem CID122593796
Molecular FormulaC53H33N7O
Molecular Weight783.90 g/mol
Exact Mass783.27
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1
InChIInChI=1S/C53H33N7O/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38/h1-33H
InChIKeyAUVLESGOYDCNQG-UHFFFAOYSA-N
XLogP12.78
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.90
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole (CID 122593796) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-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-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c(-c6nnc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)o6)cccc54)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is AUVLESGOYDCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7O/c1-4-16-34(17-5-1)49-54-50(35-18-6-2-7-19-35)56-51(55-49)36-20-14-23-39(32-36)60-45-28-13-11-25-42(45)48-43(26-15-29-46(48)60)53-58-57-52(61-53)37-30-31-41-40-24-10-12-27-44(40)59(47(41)33-37)38-21-8-3-9-22-38/h1-33H.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 783.90 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-4-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 122593796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).