2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole

C38H24N4O — CID 102168461

IUPAC2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24N4O/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)41(33)27-13-9-11-25(23-27)37-39-40-38(43-37)26-12-10-14-28(24-26)42-35-21-7-3-17-31(35)32-18-4-8-22-36(32)42/h1-24H
InChIKeySWLSGLRRZREKKH-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

About 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole

2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole (PubChem CID 102168461) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
PubChem CID102168461
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H24N4O/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)41(33)27-13-9-11-25(23-27)37-39-40-38(43-37)26-12-10-14-28(24-26)42-35-21-7-3-17-31(35)32-18-4-8-22-36(32)42/h1-24H
InChIKeySWLSGLRRZREKKH-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 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole (CID 102168461) is 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole is c1cc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is SWLSGLRRZREKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)41(33)27-13-9-11-25(23-27)37-39-40-38(43-37)26-12-10-14-28(24-26)42-35-21-7-3-17-31(35)32-18-4-8-22-36(32)42/h1-24H.
What are the key properties of 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-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 2,5-bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 102168461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).