2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole

C30H20N2O — CID 3893702

IUPAC2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
SMILESC(=Cc1cccc2ccccc12)c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C30H20N2O/c1-2-8-26-20-27(19-18-22(26)6-1)30-32-31-29(33-30)25-16-13-21(14-17-25)12-15-24-10-5-9-23-7-3-4-11-28(23)24/h1-20H
InChIKeyDJTMJIYXNLBTHH-UHFFFAOYSA-N
MW424.50 g/mol
LogP7.88
Rot. Bonds4

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

2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 3893702) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
PubChem CID3893702
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
SMILESC(=Cc1cccc2ccccc12)c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C30H20N2O/c1-2-8-26-20-27(19-18-22(26)6-1)30-32-31-29(33-30)25-16-13-21(14-17-25)12-15-24-10-5-9-23-7-3-4-11-28(23)24/h1-20H
InChIKeyDJTMJIYXNLBTHH-UHFFFAOYSA-N
XLogP7.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 22310206
2-naphthalen-1-yl-5-[4-[(E)-prop-1-enyl]phenyl]-1,3,4-oxadiazole
CID 23561823
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123964617
9-naphthalen-1-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123434532
1-naphthalen-2-yl-9,10-bis[3-[(E)-2-naphthalen-1-ylethenyl]phenyl]anthracene
CID 140583794
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238
1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
CID 54574596
1-naphthalen-2-yl-9,10-bis[5-[(E)-2-phenylethenyl]naphthalen-1-yl]anthracene;1-naphthalen-2-yl-9,10-bis[6-[(E)-2-phenylethenyl]naphthalen-2-yl]anthracene
CID 157334400

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole (CID 3893702) is 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole is C(=Cc1cccc2ccccc12)c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is DJTMJIYXNLBTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-2-8-26-20-27(19-18-22(26)6-1)30-32-31-29(33-30)25-16-13-21(14-17-25)12-15-24-10-5-9-23-7-3-4-11-28(23)24/h1-20H.
What are the key properties of 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole?
2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 424.50 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 3893702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).