2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole

C32H21N3O — CID 59227824

IUPAC2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-3-9-22(10-4-1)25-17-20-30-28(21-25)27-13-7-8-14-29(27)35(30)26-18-15-24(16-19-26)32-34-33-31(36-32)23-11-5-2-6-12-23/h1-21H
InChIKeyQYXZXNJCGONVOW-UHFFFAOYSA-N
MW463.54 g/mol
LogP8.17
Rot. Bonds4

About 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 59227824) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID59227824
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-3-9-22(10-4-1)25-17-20-30-28(21-25)27-13-7-8-14-29(27)35(30)26-18-15-24(16-19-26)32-34-33-31(36-32)23-11-5-2-6-12-23/h1-21H
InChIKeyQYXZXNJCGONVOW-UHFFFAOYSA-N
XLogP8.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole (CID 59227824) is 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is QYXZXNJCGONVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c1-3-9-22(10-4-1)25-17-20-30-28(21-25)27-13-7-8-14-29(27)35(30)26-18-15-24(16-19-26)32-34-33-31(36-32)23-11-5-2-6-12-23/h1-21H.
What are the key properties of 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 463.54 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59227824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).