2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole

C46H36N4O2 — CID 58185915

IUPAC2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
SMILESCC1(C)CC(C)(c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)c2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)ccc21
InChIInChI=1S/C46H36N4O2/c1-45(2)29-46(3,38-25-22-36(23-26-38)43-48-47-41(51-43)34-18-14-32(15-19-34)30-10-6-4-7-11-30)40-28-37(24-27-39(40)45)44-50-49-42(52-44)35-20-16-33(17-21-35)31-12-8-5-9-13-31/h4-28H,29H2,1-3H3
InChIKeyRHQTWLNPPBVFEU-UHFFFAOYSA-N
MW676.82 g/mol
LogP11.44
Rot. Bonds7

About 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole

2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 58185915) has the molecular formula C46H36N4O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
PubChem CID58185915
Molecular FormulaC46H36N4O2
Molecular Weight676.82 g/mol
Exact Mass676.28
IUPAC Name2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
SMILESCC1(C)CC(C)(c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)c2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)ccc21
InChIInChI=1S/C46H36N4O2/c1-45(2)29-46(3,38-25-22-36(23-26-38)43-48-47-41(51-43)34-18-14-32(15-19-34)30-10-6-4-7-11-30)40-28-37(24-27-39(40)45)44-50-49-42(52-44)35-20-16-33(17-21-35)31-12-8-5-9-13-31/h4-28H,29H2,1-3H3
InChIKeyRHQTWLNPPBVFEU-UHFFFAOYSA-N
XLogP11.44
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole (CID 58185915) is 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole is CC1(C)CC(C)(c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)c2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)ccc21.
What is the InChIKey of 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is RHQTWLNPPBVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O2/c1-45(2)29-46(3,38-25-22-36(23-26-38)43-48-47-41(51-43)34-18-14-32(15-19-34)30-10-6-4-7-11-30)40-28-37(24-27-39(40)45)44-50-49-42(52-44)35-20-16-33(17-21-35)31-12-8-5-9-13-31/h4-28H,29H2,1-3H3.
What are the key properties of 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole?
2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 676.82 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58185915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).