2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole

C60H36N6O2 — CID 58161458

IUPAC2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5ccc6c7c(ccc(c57)c43)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4nnc(-c5ccccc5)o4)c36)o2)cc1
InChIInChI=1S/C60H36N6O2/c1-7-19-37(20-8-1)51-47-35-43-31-34-46-50-44(32-33-45(49(43)50)55(47)65(53(51)39-23-11-3-12-24-39)59-63-61-57(67-59)41-27-15-5-16-28-41)36-48-52(38-21-9-2-10-22-38)54(40-25-13-4-14-26-40)66(56(46)48)60-64-62-58(68-60)42-29-17-6-18-30-42/h1-36H
InChIKeyOPGLERQIRMGCNK-UHFFFAOYSA-N
MW872.99 g/mol
LogP15.24
Rot. Bonds8

About 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole

2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole (PubChem CID 58161458) has the molecular formula C60H36N6O2 and a molecular weight of 872.99 g/mol. Its IUPAC name is 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole
PubChem CID58161458
Molecular FormulaC60H36N6O2
Molecular Weight872.99 g/mol
Exact Mass872.29
IUPAC Name2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5ccc6c7c(ccc(c57)c43)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4nnc(-c5ccccc5)o4)c36)o2)cc1
InChIInChI=1S/C60H36N6O2/c1-7-19-37(20-8-1)51-47-35-43-31-34-46-50-44(32-33-45(49(43)50)55(47)65(53(51)39-23-11-3-12-24-39)59-63-61-57(67-59)41-27-15-5-16-28-41)36-48-52(38-21-9-2-10-22-38)54(40-25-13-4-14-26-40)66(56(46)48)60-64-62-58(68-60)42-29-17-6-18-30-42/h1-36H
InChIKeyOPGLERQIRMGCNK-UHFFFAOYSA-N
XLogP15.24
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.99
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole (CID 58161458) is 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5ccc6c7c(ccc(c57)c43)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4nnc(-c5ccccc5)o4)c36)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole?
The InChIKey is OPGLERQIRMGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O2/c1-7-19-37(20-8-1)51-47-35-43-31-34-46-50-44(32-33-45(49(43)50)55(47)65(53(51)39-23-11-3-12-24-39)59-63-61-57(67-59)41-27-15-5-16-28-41)36-48-52(38-21-9-2-10-22-38)54(40-25-13-4-14-26-40)66(56(46)48)60-64-62-58(68-60)42-29-17-6-18-30-42/h1-36H.
What are the key properties of 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole?
2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole has a molecular weight of 872.99 g/mol, XLogP of 15.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4,5,14,15-tetraphenyl-13-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaen-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58161458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).