8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile

C32H26N2O2 — CID 122435484

IUPAC8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile
SMILESCOc1cccc(-c2ccccc2N(C)c2ccccc2-c2cccc3cccc(C#N)c23)c1OC
InChIInChI=1S/C32H26N2O2/c1-34(29-19-7-5-15-25(29)27-17-10-20-30(35-2)32(27)36-3)28-18-6-4-14-24(28)26-16-9-12-22-11-8-13-23(21-33)31(22)26/h4-20H,1-3H3
InChIKeyIMZQIPDEHSRBTK-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.83
Rot. Bonds6

About 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile

8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile (PubChem CID 122435484) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile
PubChem CID122435484
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Name8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile
SMILESCOc1cccc(-c2ccccc2N(C)c2ccccc2-c2cccc3cccc(C#N)c23)c1OC
InChIInChI=1S/C32H26N2O2/c1-34(29-19-7-5-15-25(29)27-17-10-20-30(35-2)32(27)36-3)28-18-6-4-14-24(28)26-16-9-12-22-11-8-13-23(21-33)31(22)26/h4-20H,1-3H3
InChIKeyIMZQIPDEHSRBTK-UHFFFAOYSA-N
XLogP7.83
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile?
The IUPAC name of 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile (CID 122435484) is 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile?
The canonical SMILES for 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile is COc1cccc(-c2ccccc2N(C)c2ccccc2-c2cccc3cccc(C#N)c23)c1OC.
What is the InChIKey of 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile?
The InChIKey is IMZQIPDEHSRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-34(29-19-7-5-15-25(29)27-17-10-20-30(35-2)32(27)36-3)28-18-6-4-14-24(28)26-16-9-12-22-11-8-13-23(21-33)31(22)26/h4-20H,1-3H3.
What are the key properties of 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile?
8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile has a molecular weight of 470.57 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2,3-dimethoxyphenyl)-N-methylanilino]phenyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 122435484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).