5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole

C30H25N3O — CID 59499402

IUPAC5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C30H25N3O/c1-30(2,3)22-15-18-27-25(19-22)24-11-7-8-12-26(24)33(27)23-16-13-21(14-17-23)29-31-28(32-34-29)20-9-5-4-6-10-20/h4-19H,1-3H3
InChIKeyMSWHSPIFHDQYLT-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.80
Rot. Bonds3

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

5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 59499402) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID59499402
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC Name5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C30H25N3O/c1-30(2,3)22-15-18-27-25(19-22)24-11-7-8-12-26(24)33(27)23-16-13-21(14-17-23)29-31-28(32-34-29)20-9-5-4-6-10-20/h4-19H,1-3H3
InChIKeyMSWHSPIFHDQYLT-UHFFFAOYSA-N
XLogP7.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-carbazol-9-ylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 59499399
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
2-phenyl-5-[4-[tris[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 122429669
N,N-diphenyl-9-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]carbazol-3-amine
CID 130354199
5-(4-carbazol-9-ylphenyl)-3-(4-naphthalen-1-ylphenyl)-1,2,4-oxadiazole
CID 59499367
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
5-[4-[3-(3-naphthalen-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;5-[4-[3-(3-naphthalen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole;3-phenyl-5-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-1,2,4-oxadiazole
CID 159091440
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 59499440

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 59499402) is 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MSWHSPIFHDQYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c1-30(2,3)22-15-18-27-25(19-22)24-11-7-8-12-26(24)33(27)23-16-13-21(14-17-23)29-31-28(32-34-29)20-9-5-4-6-10-20/h4-19H,1-3H3.
What are the key properties of 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 443.55 g/mol, XLogP of 7.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).