2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole

C50H30N6O2 — CID 118564652

IUPAC2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(/C4=N/c5cc6ccccc6cc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cc6ccccc6cc54)cc3)o2)cc1
InChIInChI=1S/C50H30N6O2/c1-3-11-33(12-4-1)47-53-55-49(57-47)35-23-19-31(20-24-35)45-41-27-37-15-7-9-17-39(37)29-43(41)52-46(42-28-38-16-8-10-18-40(38)30-44(42)51-45)32-21-25-36(26-22-32)50-56-54-48(58-50)34-13-5-2-6-14-34/h1-30H/b45-41-,46-42-,51-44-,51-45-,52-43-,52-46-
InChIKeyDSOCKQYEZNBDBD-XCJUJXJHSA-N
MW746.83 g/mol
LogP12.08
Rot. Bonds6

About 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 118564652) has the molecular formula C50H30N6O2 and a molecular weight of 746.83 g/mol. Its IUPAC name is 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID118564652
Molecular FormulaC50H30N6O2
Molecular Weight746.83 g/mol
Exact Mass746.24
IUPAC Name2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(/C4=N/c5cc6ccccc6cc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cc6ccccc6cc54)cc3)o2)cc1
InChIInChI=1S/C50H30N6O2/c1-3-11-33(12-4-1)47-53-55-49(57-47)35-23-19-31(20-24-35)45-41-27-37-15-7-9-17-39(37)29-43(41)52-46(42-28-38-16-8-10-18-40(38)30-44(42)51-45)32-21-25-36(26-22-32)50-56-54-48(58-50)34-13-5-2-6-14-34/h1-30H/b45-41-,46-42-,51-44-,51-45-,52-43-,52-46-
InChIKeyDSOCKQYEZNBDBD-XCJUJXJHSA-N
XLogP12.08
TPSA102.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228416
2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
CID 142733340
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
2-[4-(10-isoquinolin-6-ylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501416

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole (CID 118564652) is 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(/C4=N/c5cc6ccccc6cc5/C(c5ccc(-c6nnc(-c7ccccc7)o6)cc5)=N\c5cc6ccccc6cc54)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DSOCKQYEZNBDBD-XCJUJXJHSA-N. The full InChI is InChI=1S/C50H30N6O2/c1-3-11-33(12-4-1)47-53-55-49(57-47)35-23-19-31(20-24-35)45-41-27-37-15-7-9-17-39(37)29-43(41)52-46(42-28-38-16-8-10-18-40(38)30-44(42)51-45)32-21-25-36(26-22-32)50-56-54-48(58-50)34-13-5-2-6-14-34/h1-30H/b45-41-,46-42-,51-44-,51-45-,52-43-,52-46-.
What are the key properties of 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 746.83 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 118564652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).