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

C71H45N7O — CID 122593742

IUPAC2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)ccc54)c3)c2)cc1
InChIInChI=1S/C71H45N7O/c1-5-20-46(21-6-1)53-40-54(47-22-7-2-8-23-47)42-55(41-53)50-28-17-30-56(43-50)77-63-36-15-14-33-59(63)62-45-52(38-39-65(62)77)70-75-76-71(79-70)61-35-19-34-60-58-32-13-16-37-64(58)78(66(60)61)57-31-18-29-51(44-57)69-73-67(48-24-9-3-10-25-48)72-68(74-69)49-26-11-4-12-27-49/h1-45H
InChIKeyRBAVDRYAMZJEJH-UHFFFAOYSA-N
MW1012.19 g/mol
LogP17.78
Rot. Bonds10

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

2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593742) has the molecular formula C71H45N7O and a molecular weight of 1012.19 g/mol. Its IUPAC name is 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593742
Molecular FormulaC71H45N7O
Molecular Weight1012.19 g/mol
Exact Mass1011.37
IUPAC Name2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)ccc54)c3)c2)cc1
InChIInChI=1S/C71H45N7O/c1-5-20-46(21-6-1)53-40-54(47-22-7-2-8-23-47)42-55(41-53)50-28-17-30-56(43-50)77-63-36-15-14-33-59(63)62-45-52(38-39-65(62)77)70-75-76-71(79-70)61-35-19-34-60-58-32-13-16-37-64(58)78(66(60)61)57-31-18-29-51(44-57)69-73-67(48-24-9-3-10-25-48)72-68(74-69)49-26-11-4-12-27-49/h1-45H
InChIKeyRBAVDRYAMZJEJH-UHFFFAOYSA-N
XLogP17.78
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.19
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole (CID 122593742) is 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)ccc54)c3)c2)cc1.
What is the InChIKey of 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is RBAVDRYAMZJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45N7O/c1-5-20-46(21-6-1)53-40-54(47-22-7-2-8-23-47)42-55(41-53)50-28-17-30-56(43-50)77-63-36-15-14-33-59(63)62-45-52(38-39-65(62)77)70-75-76-71(79-70)61-35-19-34-60-58-32-13-16-37-64(58)78(66(60)61)57-31-18-29-51(44-57)69-73-67(48-24-9-3-10-25-48)72-68(74-69)49-26-11-4-12-27-49/h1-45H.
What are the key properties of 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole has a molecular weight of 1012.19 g/mol, XLogP of 17.78, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).