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

C36H37N3O — CID 56648890

IUPAC2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H37N3O/c1-21(2)26-19-29(22(3)4)34(30(20-26)23(5)6)36-38-37-35(40-36)25-16-17-31(24(7)18-25)39-32-14-10-8-12-27(32)28-13-9-11-15-33(28)39/h8-23H,1-7H3
InChIKeyUIVQBXGABHKZGH-UHFFFAOYSA-N
MW527.71 g/mol
LogP10.18
Rot. Bonds6

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

2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 56648890) has the molecular formula C36H37N3O and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID56648890
Molecular FormulaC36H37N3O
Molecular Weight527.71 g/mol
Exact Mass527.29
IUPAC Name2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C36H37N3O/c1-21(2)26-19-29(22(3)4)34(30(20-26)23(5)6)36-38-37-35(40-36)25-16-17-31(24(7)18-25)39-32-14-10-8-12-27(32)28-13-9-11-15-33(28)39/h8-23H,1-7H3
InChIKeyUIVQBXGABHKZGH-UHFFFAOYSA-N
XLogP10.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole with MolForge

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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-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (CID 56648890) is 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is UIVQBXGABHKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O/c1-21(2)26-19-29(22(3)4)34(30(20-26)23(5)6)36-38-37-35(40-36)25-16-17-31(24(7)18-25)39-32-14-10-8-12-27(32)28-13-9-11-15-33(28)39/h8-23H,1-7H3.
What are the key properties of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 527.71 g/mol, XLogP of 10.18, 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-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56648890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).