2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole

C32H24N4O2 — CID 102278029

IUPAC2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4cc(c3)CCc3cc(cc(-c5nnc(-c6ccccc6)o5)c3)CC4)o2)cc1
InChIInChI=1S/C32H24N4O2/c1-3-7-25(8-4-1)29-33-35-31(37-29)27-17-21-11-13-23-16-24(14-12-22(15-21)18-27)20-28(19-23)32-36-34-30(38-32)26-9-5-2-6-10-26/h1-10,15-20H,11-14H2
InChIKeyGUIBVXOCMZUVFQ-UHFFFAOYSA-N
MW496.57 g/mol
LogP7.00
Rot. Bonds4

About 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole

2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole (PubChem CID 102278029) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
PubChem CID102278029
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC Name2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cc4cc(c3)CCc3cc(cc(-c5nnc(-c6ccccc6)o5)c3)CC4)o2)cc1
InChIInChI=1S/C32H24N4O2/c1-3-7-25(8-4-1)29-33-35-31(37-29)27-17-21-11-13-23-16-24(14-12-22(15-21)18-27)20-28(19-23)32-36-34-30(38-32)26-9-5-2-6-10-26/h1-10,15-20H,11-14H2
InChIKeyGUIBVXOCMZUVFQ-UHFFFAOYSA-N
XLogP7.00
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole (CID 102278029) is 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cc4cc(c3)CCc3cc(cc(-c5nnc(-c6ccccc6)o5)c3)CC4)o2)cc1.
What is the InChIKey of 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole?
The InChIKey is GUIBVXOCMZUVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O2/c1-3-7-25(8-4-1)29-33-35-31(37-29)27-17-21-11-13-23-16-24(14-12-22(15-21)18-27)20-28(19-23)32-36-34-30(38-32)26-9-5-2-6-10-26/h1-10,15-20H,11-14H2.
What are the key properties of 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole?
2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole has a molecular weight of 496.57 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 102278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).