5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene

C40H26IN3O2 — CID 143092813

IUPAC5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene
SMILESc1ccc(-c2ccc(C3=IN=C(c4ccc(-c5ccc(-c6nnc(-c7ccc(-c8ccccc8)cc7)o6)cc5)cc4)O3)cc2)cc1
InChIInChI=1S/C40H26IN3O2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-41-42-38(45-37)34-21-13-31(14-22-34)32-17-25-36(26-18-32)40-44-43-39(46-40)35-23-15-30(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKeyKWGDCWBGIKCBHG-UHFFFAOYSA-N
MW707.57 g/mol
LogP10.25
Rot. Bonds7

About 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene

5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene (PubChem CID 143092813) has the molecular formula C40H26IN3O2 and a molecular weight of 707.57 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene.

Molecular Properties

Compound Name5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene
PubChem CID143092813
Molecular FormulaC40H26IN3O2
Molecular Weight707.57 g/mol
Exact Mass707.11
IUPAC Name5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene
SMILESc1ccc(-c2ccc(C3=IN=C(c4ccc(-c5ccc(-c6nnc(-c7ccc(-c8ccccc8)cc7)o6)cc5)cc4)O3)cc2)cc1
InChIInChI=1S/C40H26IN3O2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-41-42-38(45-37)34-21-13-31(14-22-34)32-17-25-36(26-18-32)40-44-43-39(46-40)35-23-15-30(16-24-35)28-9-5-2-6-10-28/h1-26H
InChIKeyKWGDCWBGIKCBHG-UHFFFAOYSA-N
XLogP10.25
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.57
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene?
The IUPAC name of 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene (CID 143092813) is 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene.
What is the SMILES notation for 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene?
The canonical SMILES for 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene is c1ccc(-c2ccc(C3=IN=C(c4ccc(-c5ccc(-c6nnc(-c7ccc(-c8ccccc8)cc7)o6)cc5)cc4)O3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene?
The InChIKey is KWGDCWBGIKCBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26IN3O2/c1-3-7-27(8-4-1)29-11-19-33(20-12-29)37-41-42-38(45-37)34-21-13-31(14-22-34)32-17-25-36(26-18-32)40-44-43-39(46-40)35-23-15-30(16-24-35)28-9-5-2-6-10-28/h1-26H.
What are the key properties of 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene?
5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene has a molecular weight of 707.57 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-3-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1λ3-ioda-4-oxa-2-azacyclopenta-2,5-diene is sourced from PubChem (CID 143092813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).