2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C64H58N6O2 — CID 158447388

IUPAC2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C34H33N3O.C30H25N3O/c1-33(2,3)23-16-18-29-26(20-23)27-21-24(34(4,5)6)17-19-30(27)37(29)28-15-11-10-14-25(28)32-36-35-31(38-32)22-12-8-7-9-13-22;1-3-20-14-16-27-24(18-20)25-19-21(4-2)15-17-28(25)33(27)26-13-9-8-12-23(26)30-32-31-29(34-30)22-10-6-5-7-11-22/h7-21H,1-6H3;5-19H,3-4H2,1-2H3
InChIKeyHDOCSDCVLZEEAX-UHFFFAOYSA-N
MW943.21 g/mol
LogP16.72
Rot. Bonds8

About 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 158447388) has the molecular formula C64H58N6O2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID158447388
Molecular FormulaC64H58N6O2
Molecular Weight943.21 g/mol
Exact Mass942.46
IUPAC Name2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C34H33N3O.C30H25N3O/c1-33(2,3)23-16-18-29-26(20-23)27-21-24(34(4,5)6)17-19-30(27)37(29)28-15-11-10-14-25(28)32-36-35-31(38-32)22-12-8-7-9-13-22;1-3-20-14-16-27-24(18-20)25-19-21(4-2)15-17-28(25)33(27)26-13-9-8-12-23(26)30-32-31-29(34-30)22-10-6-5-7-11-22/h7-21H,1-6H3;5-19H,3-4H2,1-2H3
InChIKeyHDOCSDCVLZEEAX-UHFFFAOYSA-N
XLogP16.72
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 158447388) is 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HDOCSDCVLZEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O.C30H25N3O/c1-33(2,3)23-16-18-29-26(20-23)27-21-24(34(4,5)6)17-19-30(27)37(29)28-15-11-10-14-25(28)32-36-35-31(38-32)22-12-8-7-9-13-22;1-3-20-14-16-27-24(18-20)25-19-21(4-2)15-17-28(25)33(27)26-13-9-8-12-23(26)30-32-31-29(34-30)22-10-6-5-7-11-22/h7-21H,1-6H3;5-19H,3-4H2,1-2H3.
What are the key properties of 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 943.21 g/mol, XLogP of 16.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158447388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).