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

C60H38N6O — CID 122593710

IUPAC2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c67)o5)c43)c2)cc1
InChIInChI=1S/C60H38N6O/c1-5-19-39(20-6-1)43-35-51(41-23-9-3-10-24-41)61-55(37-43)65-53-33-15-13-27-45(53)47-29-17-31-49(57(47)65)59-63-64-60(67-59)50-32-18-30-48-46-28-14-16-34-54(46)66(58(48)50)56-38-44(40-21-7-2-8-22-40)36-52(62-56)42-25-11-4-12-26-42/h1-38H
InChIKeyUDTRIVVAJRVIII-UHFFFAOYSA-N
MW859.01 g/mol
LogP15.06
Rot. Bonds8

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

2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (PubChem CID 122593710) has the molecular formula C60H38N6O and a molecular weight of 859.01 g/mol. Its IUPAC name is 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
PubChem CID122593710
Molecular FormulaC60H38N6O
Molecular Weight859.01 g/mol
Exact Mass858.31
IUPAC Name2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c67)o5)c43)c2)cc1
InChIInChI=1S/C60H38N6O/c1-5-19-39(20-6-1)43-35-51(41-23-9-3-10-24-41)61-55(37-43)65-53-33-15-13-27-45(53)47-29-17-31-49(57(47)65)59-63-64-60(67-59)50-32-18-30-48-46-28-14-16-34-54(46)66(58(48)50)56-38-44(40-21-7-2-8-22-40)36-52(62-56)42-25-11-4-12-26-42/h1-38H
InChIKeyUDTRIVVAJRVIII-UHFFFAOYSA-N
XLogP15.06
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.01
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole (CID 122593710) is 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5nnc(-c6cccc7c8ccccc8n(-c8cc(-c9ccccc9)cc(-c9ccccc9)n8)c67)o5)c43)c2)cc1.
What is the InChIKey of 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
The InChIKey is UDTRIVVAJRVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6O/c1-5-19-39(20-6-1)43-35-51(41-23-9-3-10-24-41)61-55(37-43)65-53-33-15-13-27-45(53)47-29-17-31-49(57(47)65)59-63-64-60(67-59)50-32-18-30-48-46-28-14-16-34-54(46)66(58(48)50)56-38-44(40-21-7-2-8-22-40)36-52(62-56)42-25-11-4-12-26-42/h1-38H.
What are the key properties of 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole?
2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole has a molecular weight of 859.01 g/mol, XLogP of 15.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122593710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).