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

C38H24N4O — CID 102521602

IUPAC2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nnc(-c3ccccc3-n3c4ccccc4c4ccccc43)o2)c1
InChIInChI=1S/C38H24N4O/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-39-40-38(43-37)30-18-6-12-24-36(30)42-33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H
InChIKeyMWHKLNFTPMELEA-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

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

2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole (PubChem CID 102521602) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole
PubChem CID102521602
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nnc(-c3ccccc3-n3c4ccccc4c4ccccc43)o2)c1
InChIInChI=1S/C38H24N4O/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-39-40-38(43-37)30-18-6-12-24-36(30)42-33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H
InChIKeyMWHKLNFTPMELEA-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(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole (CID 102521602) is 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nnc(-c3ccccc3-n3c4ccccc4c4ccccc43)o2)c1.
What is the InChIKey of 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is MWHKLNFTPMELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-39-40-38(43-37)30-18-6-12-24-36(30)42-33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H.
What are the key properties of 2,5-bis(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole?
2,5-bis(2-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(2-carbazol-9-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 102521602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).