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

C38H24N4O — CID 59499421

IUPAC5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C38H24N4O/c1-2-12-25(13-3-1)37-39-38(43-40-37)30-17-7-11-21-35(30)42-34-20-10-6-16-29(34)31-24-26(22-23-36(31)42)41-32-18-8-4-14-27(32)28-15-5-9-19-33(28)41/h1-24H
InChIKeyFSRLJGRXNDNHIJ-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

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

5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 59499421) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID59499421
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C38H24N4O/c1-2-12-25(13-3-1)37-39-38(43-40-37)30-17-7-11-21-35(30)42-34-20-10-6-16-29(34)31-24-26(22-23-36(31)42)41-32-18-8-4-14-27(32)28-15-5-9-19-33(28)41/h1-24H
InChIKeyFSRLJGRXNDNHIJ-UHFFFAOYSA-N
XLogP9.60
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 59499421) is 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccccc3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FSRLJGRXNDNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-2-12-25(13-3-1)37-39-38(43-40-37)30-17-7-11-21-35(30)42-34-20-10-6-16-29(34)31-24-26(22-23-36(31)42)41-32-18-8-4-14-27(32)28-15-5-9-19-33(28)41/h1-24H.
What are the key properties of 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 552.64 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59499421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).