6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile

C38H20N4O2 — CID 134401198

IUPAC6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C#N)c(C#N)cc6c5)cc4)cc3)cc2cc1C#N
InChIInChI=1S/C38H20N4O2/c39-21-31-15-27-7-13-37(19-29(27)17-33(31)23-41)43-35-9-3-25(4-10-35)1-2-26-5-11-36(12-6-26)44-38-14-8-28-16-32(22-40)34(24-42)18-30(28)20-38/h1-20H/b2-1+
InChIKeyHNGHZKIRUHXZOA-OWOJBTEDSA-N
MW564.60 g/mol
LogP9.23
Rot. Bonds6

About 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile

6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile (PubChem CID 134401198) has the molecular formula C38H20N4O2 and a molecular weight of 564.60 g/mol. Its IUPAC name is 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile
PubChem CID134401198
Molecular FormulaC38H20N4O2
Molecular Weight564.60 g/mol
Exact Mass564.16
IUPAC Name6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2ccc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C#N)c(C#N)cc6c5)cc4)cc3)cc2cc1C#N
InChIInChI=1S/C38H20N4O2/c39-21-31-15-27-7-13-37(19-29(27)17-33(31)23-41)43-35-9-3-25(4-10-35)1-2-26-5-11-36(12-6-26)44-38-14-8-28-16-32(22-40)34(24-42)18-30(28)20-38/h1-20H/b2-1+
InChIKeyHNGHZKIRUHXZOA-OWOJBTEDSA-N
XLogP9.23
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.60
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile 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 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile?
The IUPAC name of 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile (CID 134401198) is 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile is N#Cc1cc2ccc(Oc3ccc(/C=C/c4ccc(Oc5ccc6cc(C#N)c(C#N)cc6c5)cc4)cc3)cc2cc1C#N.
What is the InChIKey of 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile?
The InChIKey is HNGHZKIRUHXZOA-OWOJBTEDSA-N. The full InChI is InChI=1S/C38H20N4O2/c39-21-31-15-27-7-13-37(19-29(27)17-33(31)23-41)43-35-9-3-25(4-10-35)1-2-26-5-11-36(12-6-26)44-38-14-8-28-16-32(22-40)34(24-42)18-30(28)20-38/h1-20H/b2-1+.
What are the key properties of 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile?
6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile has a molecular weight of 564.60 g/mol, XLogP of 9.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-[4-(6,7-dicyanonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 134401198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).