2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

C35H35N3O — CID 56648796

IUPAC2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)c1cc(C(C)C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C(C)C)c1
InChIInChI=1S/C35H35N3O/c1-21(2)25-19-29(22(3)4)33(30(20-25)23(5)6)35-37-36-34(39-35)24-15-17-26(18-16-24)38-31-13-9-7-11-27(31)28-12-8-10-14-32(28)38/h7-23H,1-6H3
InChIKeyYULHZGAHJAFGLB-UHFFFAOYSA-N
MW513.69 g/mol
LogP9.87
Rot. Bonds6

About 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 56648796) has the molecular formula C35H35N3O and a molecular weight of 513.69 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID56648796
Molecular FormulaC35H35N3O
Molecular Weight513.69 g/mol
Exact Mass513.28
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)c1cc(C(C)C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C(C)C)c1
InChIInChI=1S/C35H35N3O/c1-21(2)25-19-29(22(3)4)33(30(20-25)23(5)6)35-37-36-34(39-35)24-15-17-26(18-16-24)38-31-13-9-7-11-27(31)28-12-8-10-14-32(28)38/h7-23H,1-6H3
InChIKeyYULHZGAHJAFGLB-UHFFFAOYSA-N
XLogP9.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,3-Dimethyl-1H-indol-5-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(3,4-dimethyl-phenyl)-ethanone
CID 1374145
9-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 1283422
US11420958, Ex. No. 270
CID 154640122
2-[5-(2,3-Dimethyl-1H-indol-5-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(2,3,5,6-tetramethyl-phenyl)-ethanone
CID 1374146
US11420958, Ex. No. 232
CID 154640030
US11420958, Ex. No. 271
CID 154640081
US11420958, Ex. No. 318
CID 154640096
US11420958, Ex. No. 245
CID 154640098
2-(2-Methylquinolin-3-yl)-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 76324478
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-phenyl-1,3,4-oxadiazole
CID 137651070
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137659110
Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (CID 56648796) is 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is CC(C)c1cc(C(C)C)c(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c(C(C)C)c1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is YULHZGAHJAFGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O/c1-21(2)25-19-29(22(3)4)33(30(20-25)23(5)6)35-37-36-34(39-35)24-15-17-26(18-16-24)38-31-13-9-7-11-27(31)28-12-8-10-14-32(28)38/h7-23H,1-6H3.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 513.69 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56648796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).