2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile

C36H32N4O2 — CID 101380983

IUPAC2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile
SMILESCCN(CC)c1ccc2cc(-c3ccc4c(C#N)c(-c5cc6ccc(N(CC)CC)cc6o5)ccc4c3C#N)oc2c1
InChIInChI=1S/C36H32N4O2/c1-5-39(6-2)25-11-9-23-17-35(41-33(23)19-25)29-15-13-28-27(31(29)21-37)14-16-30(32(28)22-38)36-18-24-10-12-26(20-34(24)42-36)40(7-3)8-4/h9-20H,5-8H2,1-4H3
InChIKeyVJAUXDVSGQSZEL-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.10
Rot. Bonds8

About 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile

2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile (PubChem CID 101380983) has the molecular formula C36H32N4O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile
PubChem CID101380983
Molecular FormulaC36H32N4O2
Molecular Weight552.68 g/mol
Exact Mass552.25
IUPAC Name2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile
SMILESCCN(CC)c1ccc2cc(-c3ccc4c(C#N)c(-c5cc6ccc(N(CC)CC)cc6o5)ccc4c3C#N)oc2c1
InChIInChI=1S/C36H32N4O2/c1-5-39(6-2)25-11-9-23-17-35(41-33(23)19-25)29-15-13-28-27(31(29)21-37)14-16-30(32(28)22-38)36-18-24-10-12-26(20-34(24)42-36)40(7-3)8-4/h9-20H,5-8H2,1-4H3
InChIKeyVJAUXDVSGQSZEL-UHFFFAOYSA-N
XLogP9.10
TPSA80.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-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 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile?
The IUPAC name of 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile (CID 101380983) is 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile?
The canonical SMILES for 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile is CCN(CC)c1ccc2cc(-c3ccc4c(C#N)c(-c5cc6ccc(N(CC)CC)cc6o5)ccc4c3C#N)oc2c1.
What is the InChIKey of 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile?
The InChIKey is VJAUXDVSGQSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O2/c1-5-39(6-2)25-11-9-23-17-35(41-33(23)19-25)29-15-13-28-27(31(29)21-37)14-16-30(32(28)22-38)36-18-24-10-12-26(20-34(24)42-36)40(7-3)8-4/h9-20H,5-8H2,1-4H3.
What are the key properties of 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile?
2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile has a molecular weight of 552.68 g/mol, XLogP of 9.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[6-(diethylamino)-1-benzofuran-2-yl]naphthalene-1,5-dicarbonitrile is sourced from PubChem (CID 101380983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).