2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole

C48H39N3O — CID 166018027

IUPAC2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65C6CC7CC(C6)CC5C7)c4)c3)o2)cc1
InChIInChI=1S/C48H39N3O/c1-3-11-33(12-4-1)46-49-50-47(52-46)38-16-10-15-36(29-38)34-13-9-14-35(28-34)37-21-22-43-45(30-37)51(41-17-5-2-6-18-41)44-20-8-7-19-42(44)48(43)39-24-31-23-32(26-39)27-40(48)25-31/h1-22,28-32,39-40H,23-27H2
InChIKeyDDZLUZDMLRTUPC-UHFFFAOYSA-N
MW673.86 g/mol
LogP12.26
Rot. Bonds5

About 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 166018027) has the molecular formula C48H39N3O and a molecular weight of 673.86 g/mol. Its IUPAC name is 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID166018027
Molecular FormulaC48H39N3O
Molecular Weight673.86 g/mol
Exact Mass673.31
IUPAC Name2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65C6CC7CC(C6)CC5C7)c4)c3)o2)cc1
InChIInChI=1S/C48H39N3O/c1-3-11-33(12-4-1)46-49-50-47(52-46)38-16-10-15-36(29-38)34-13-9-14-35(28-34)37-21-22-43-45(30-37)51(41-17-5-2-6-18-41)44-20-8-7-19-42(44)48(43)39-24-31-23-32(26-39)27-40(48)25-31/h1-22,28-32,39-40H,23-27H2
InChIKeyDDZLUZDMLRTUPC-UHFFFAOYSA-N
XLogP12.26
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166018200
CID 166018005
CID 166018005
10-phenyl-3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
CID 166017943
10-phenyl-3-(4-phenylquinazolin-2-yl)spiro[acridine-9,2'-adamantane]
CID 166017823
10-phenyl-2-[4-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[acridine-9,2'-adamantane]
CID 166018119
CID 165165371
CID 165165371
2-[3-[4-(4-fluoranthen-8-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017922
2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017926
1-methyl-17-phenyl-13-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 156573515
2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 129156625
10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163809128
[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 171600909

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole (CID 166018027) is 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc(-c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65C6CC7CC(C6)CC5C7)c4)c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DDZLUZDMLRTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N3O/c1-3-11-33(12-4-1)46-49-50-47(52-46)38-16-10-15-36(29-38)34-13-9-14-35(28-34)37-21-22-43-45(30-37)51(41-17-5-2-6-18-41)44-20-8-7-19-42(44)48(43)39-24-31-23-32(26-39)27-40(48)25-31/h1-22,28-32,39-40H,23-27H2.
What are the key properties of 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 673.86 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166018027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).