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

C68H42N10O — CID 122593712

IUPAC2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)c54)c3)n2)cc1
InChIInChI=1S/C68H42N10O/c1-5-21-43(22-6-1)61-69-62(44-23-7-2-8-24-44)72-65(71-61)47-29-17-31-49(41-47)77-57-39-15-13-33-51(57)53-35-19-37-55(59(53)77)67-75-76-68(79-67)56-38-20-36-54-52-34-14-16-40-58(52)78(60(54)56)50-32-18-30-48(42-50)66-73-63(45-25-9-3-10-26-45)70-64(74-66)46-27-11-4-12-28-46/h1-42H
InChIKeyCWXZSQGULNBYJR-UHFFFAOYSA-N
MW1015.15 g/mol
LogP15.97
Rot. Bonds10

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

2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593712) has the molecular formula C68H42N10O and a molecular weight of 1015.15 g/mol. Its IUPAC name is 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593712
Molecular FormulaC68H42N10O
Molecular Weight1015.15 g/mol
Exact Mass1014.35
IUPAC Name2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)c54)c3)n2)cc1
InChIInChI=1S/C68H42N10O/c1-5-21-43(22-6-1)61-69-62(44-23-7-2-8-24-44)72-65(71-61)47-29-17-31-49(41-47)77-57-39-15-13-33-51(57)53-35-19-37-55(59(53)77)67-75-76-68(79-67)56-38-20-36-54-52-34-14-16-40-58(52)78(60(54)56)50-32-18-30-48(42-50)66-73-63(45-25-9-3-10-26-45)70-64(74-66)46-27-11-4-12-28-46/h1-42H
InChIKeyCWXZSQGULNBYJR-UHFFFAOYSA-N
XLogP15.97
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.15
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole (CID 122593712) is 2,5-bis[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 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cccc(-c6nnc(-c7cccc8c9ccccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c78)o6)c54)c3)n2)cc1.
What is the InChIKey of 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is CWXZSQGULNBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N10O/c1-5-21-43(22-6-1)61-69-62(44-23-7-2-8-24-44)72-65(71-61)47-29-17-31-49(41-47)77-57-39-15-13-33-51(57)53-35-19-37-55(59(53)77)67-75-76-68(79-67)56-38-20-36-54-52-34-14-16-40-58(52)78(60(54)56)50-32-18-30-48(42-50)66-73-63(45-25-9-3-10-26-45)70-64(74-66)46-27-11-4-12-28-46/h1-42H.
What are the key properties of 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole?
2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole has a molecular weight of 1015.15 g/mol, XLogP of 15.97, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).