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

C36H22N6O — CID 122593792

IUPAC2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole
SMILESc1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccnc5)o4)cc32)c1
InChIInChI=1S/C36H22N6O/c1-3-13-30-26(10-1)27-17-16-23(20-33(27)42(30)25-9-7-19-38-22-25)35-39-40-36(43-35)29-12-5-15-32-34(29)28-11-2-4-14-31(28)41(32)24-8-6-18-37-21-24/h1-22H
InChIKeyGSAGKIFQACUBNE-UHFFFAOYSA-N
MW554.61 g/mol
LogP8.39
Rot. Bonds4

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

2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole (PubChem CID 122593792) has the molecular formula C36H22N6O and a molecular weight of 554.61 g/mol. Its IUPAC name is 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole
PubChem CID122593792
Molecular FormulaC36H22N6O
Molecular Weight554.61 g/mol
Exact Mass554.19
IUPAC Name2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole
SMILESc1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccnc5)o4)cc32)c1
InChIInChI=1S/C36H22N6O/c1-3-13-30-26(10-1)27-17-16-23(20-33(27)42(30)25-9-7-19-38-22-25)35-39-40-36(43-35)29-12-5-15-32-34(29)28-11-2-4-14-31(28)41(32)24-8-6-18-37-21-24/h1-22H
InChIKeyGSAGKIFQACUBNE-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

Analyze 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-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

Related Compounds

CID 164619662
CID 164619662
CID 53032181
CID 53032181
CID 118707840
CID 118707840
CID 53032153
CID 53032153
CID 53032224
CID 53032224
CID 53032228
CID 53032228
CID 155562117
CID 155562117
CID 155565000
CID 155565000
CID 172449725
CID 172449725
CID 53013374
CID 53013374
CID 53032204
CID 53032204
CID 154640068
CID 154640068

Frequently Asked Questions

What is the IUPAC name of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole (CID 122593792) is 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole is c1cncc(-n2c3ccccc3c3ccc(-c4nnc(-c5cccc6c5c5ccccc5n6-c5cccnc5)o4)cc32)c1.
What is the InChIKey of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is GSAGKIFQACUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O/c1-3-13-30-26(10-1)27-17-16-23(20-33(27)42(30)25-9-7-19-38-22-25)35-39-40-36(43-35)29-12-5-15-32-34(29)28-11-2-4-14-31(28)41(32)24-8-6-18-37-21-24/h1-22H.
What are the key properties of 2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole?
2-(9-pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-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-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 122593792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).