2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole

C36H22N6O — CID 122593718

IUPAC2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)o4)cc32)c1
InChIInChI=1S/C36H22N6O/c1-3-14-31-26(10-1)28-17-16-23(20-33(28)41(31)24-8-6-18-37-21-24)35-39-40-36(43-35)30-13-5-12-29-27-11-2-4-15-32(27)42(34(29)30)25-9-7-19-38-22-25/h1-22H
InChIKeyJNHYHXAUQOIYRJ-UHFFFAOYSA-N
MW554.61 g/mol
LogP8.39
Rot. Bonds4

About 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole

2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole (PubChem CID 122593718) has the molecular formula C36H22N6O and a molecular weight of 554.61 g/mol. Its IUPAC name is 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole
PubChem CID122593718
Molecular FormulaC36H22N6O
Molecular Weight554.61 g/mol
Exact Mass554.19
IUPAC Name2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)o4)cc32)c1
InChIInChI=1S/C36H22N6O/c1-3-14-31-26(10-1)28-17-16-23(20-33(28)41(31)24-8-6-18-37-21-24)35-39-40-36(43-35)30-13-5-12-29-27-11-2-4-15-32(27)42(34(29)30)25-9-7-19-38-22-25/h1-22H
InChIKeyJNHYHXAUQOIYRJ-UHFFFAOYSA-N
XLogP8.39
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
1-Methyl-3-(5-phenyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 860743
1-[3,4-dihydro-1(2H)-quinolinyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]-1-ethanone
CID 53032181
N-phenyl-2-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetamide
CID 42111238
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-pyridin-3-ylacetamide
CID 53032153
2-[6-(5-Methyl-1,3,4-oxadiazol-2-YL)-1H-indol-1-YL]-1-(piperidin-1-YL)ethan-1-one
CID 53032224
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl]-N-(3-methylphenyl)acetamide
CID 53032228
2-[4-[bis(1-methylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155514778
3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
CID 155522295
2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155533288
3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
CID 155538044
2-[4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155539790

Frequently Asked Questions

What is the IUPAC name of 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole (CID 122593718) is 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole is c1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c7ccccc7n(-c7cccnc7)c56)o4)cc32)c1.
What is the InChIKey of 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is JNHYHXAUQOIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O/c1-3-14-31-26(10-1)28-17-16-23(20-33(28)41(31)24-8-6-18-37-21-24)35-39-40-36(43-35)30-13-5-12-29-27-11-2-4-15-32(27)42(34(29)30)25-9-7-19-38-22-25/h1-22H.
What are the key properties of 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole?
2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 554.61 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 122593718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).