2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole

C38H26N4O4 — CID 59815296

IUPAC2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2cc(-c3nnc(-c4ccccc4)o3)ccc2c1-c1c(OC)ccc2cc(-c3nnc(-c4ccccc4)o3)ccc12
InChIInChI=1S/C38H26N4O4/c1-43-31-19-15-25-21-27(37-41-39-35(45-37)23-9-5-3-6-10-23)13-17-29(25)33(31)34-30-18-14-28(22-26(30)16-20-32(34)44-2)38-42-40-36(46-38)24-11-7-4-8-12-24/h3-22H,1-2H3
InChIKeyXXGFVJLAMUKAIO-UHFFFAOYSA-N
MW602.65 g/mol
LogP9.11
Rot. Bonds7

About 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59815296) has the molecular formula C38H26N4O4 and a molecular weight of 602.65 g/mol. Its IUPAC name is 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59815296
Molecular FormulaC38H26N4O4
Molecular Weight602.65 g/mol
Exact Mass602.20
IUPAC Name2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc2cc(-c3nnc(-c4ccccc4)o3)ccc2c1-c1c(OC)ccc2cc(-c3nnc(-c4ccccc4)o3)ccc12
InChIInChI=1S/C38H26N4O4/c1-43-31-19-15-25-21-27(37-41-39-35(45-37)23-9-5-3-6-10-23)13-17-29(25)33(31)34-30-18-14-28(22-26(30)16-20-32(34)44-2)38-42-40-36(46-38)24-11-7-4-8-12-24/h3-22H,1-2H3
InChIKeyXXGFVJLAMUKAIO-UHFFFAOYSA-N
XLogP9.11
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 17359287
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-[(4-phenylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 60519118

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 59815296) is 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole is COc1ccc2cc(-c3nnc(-c4ccccc4)o3)ccc2c1-c1c(OC)ccc2cc(-c3nnc(-c4ccccc4)o3)ccc12.
What is the InChIKey of 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XXGFVJLAMUKAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O4/c1-43-31-19-15-25-21-27(37-41-39-35(45-37)23-9-5-3-6-10-23)13-17-29(25)33(31)34-30-18-14-28(22-26(30)16-20-32(34)44-2)38-42-40-36(46-38)24-11-7-4-8-12-24/h3-22H,1-2H3.
What are the key properties of 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 602.65 g/mol, XLogP of 9.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59815296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).