2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C38H25N3O — CID 58281802

IUPAC2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C38H25N3O/c1-4-10-26(11-5-1)30-18-22-35-33(24-30)34-25-31(27-12-6-2-7-13-27)19-23-36(34)41(35)32-20-16-29(17-21-32)38-40-39-37(42-38)28-14-8-3-9-15-28/h1-25H
InChIKeyZNETWGJOLKACPS-UHFFFAOYSA-N
MW539.64 g/mol
LogP9.83
Rot. Bonds5

About 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 58281802) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID58281802
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C38H25N3O/c1-4-10-26(11-5-1)30-18-22-35-33(24-30)34-25-31(27-12-6-2-7-13-27)19-23-36(34)41(35)32-20-16-29(17-21-32)38-40-39-37(42-38)28-14-8-3-9-15-28/h1-25H
InChIKeyZNETWGJOLKACPS-UHFFFAOYSA-N
XLogP9.83
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 58281802) is 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZNETWGJOLKACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-4-10-26(11-5-1)30-18-22-35-33(24-30)34-25-31(27-12-6-2-7-13-27)19-23-36(34)41(35)32-20-16-29(17-21-32)38-40-39-37(42-38)28-14-8-3-9-15-28/h1-25H.
What are the key properties of 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 539.64 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 58281802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).