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

C69H43N9O — CID 122593752

IUPAC2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c7c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)c54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C69H43N9O/c1-5-21-44(22-6-1)57-43-58(71-64(70-57)45-23-7-2-8-24-45)48-29-17-32-51(41-48)78-59-38-15-13-33-52(59)53-35-19-37-56(63(53)78)69-76-75-68(79-69)55-36-20-40-61-62(55)54-34-14-16-39-60(54)77(61)50-31-18-30-49(42-50)67-73-65(46-25-9-3-10-26-46)72-66(74-67)47-27-11-4-12-28-47/h1-43H
InChIKeyDIPZIAZETMICMU-UHFFFAOYSA-N
MW1014.16 g/mol
LogP16.57
Rot. Bonds10

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

2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole (PubChem CID 122593752) has the molecular formula C69H43N9O and a molecular weight of 1014.16 g/mol. Its IUPAC name is 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole
PubChem CID122593752
Molecular FormulaC69H43N9O
Molecular Weight1014.16 g/mol
Exact Mass1013.36
IUPAC Name2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c7c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)c54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C69H43N9O/c1-5-21-44(22-6-1)57-43-58(71-64(70-57)45-23-7-2-8-24-45)48-29-17-32-51(41-48)78-59-38-15-13-33-52(59)53-35-19-37-56(63(53)78)69-76-75-68(79-69)55-36-20-40-61-62(55)54-34-14-16-39-60(54)77(61)50-31-18-30-49(42-50)67-73-65(46-25-9-3-10-26-46)72-66(74-67)47-27-11-4-12-28-47/h1-43H
InChIKeyDIPZIAZETMICMU-UHFFFAOYSA-N
XLogP16.57
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.16
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole (CID 122593752) is 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c7c7ccccc7n8-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)o6)c54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is DIPZIAZETMICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N9O/c1-5-21-44(22-6-1)57-43-58(71-64(70-57)45-23-7-2-8-24-45)48-29-17-32-51(41-48)78-59-38-15-13-33-52(59)53-35-19-37-56(63(53)78)69-76-75-68(79-69)55-36-20-40-61-62(55)54-34-14-16-39-60(54)77(61)50-31-18-30-49(42-50)67-73-65(46-25-9-3-10-26-46)72-66(74-67)47-27-11-4-12-28-47/h1-43H.
What are the key properties of 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole?
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 1014.16 g/mol, XLogP of 16.57, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).