1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile

C22H12N2 — CID 11197466

IUPAC1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccccc2c1-c1c(C#N)ccc2ccccc12
InChIInChI=1S/C22H12N2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H
InChIKeyPMGUUJLDTNSROF-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.40
Rot. Bonds1

About 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile

1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile (PubChem CID 11197466) has the molecular formula C22H12N2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile
PubChem CID11197466
Molecular FormulaC22H12N2
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccccc2c1-c1c(C#N)ccc2ccccc12
InChIInChI=1S/C22H12N2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H
InChIKeyPMGUUJLDTNSROF-UHFFFAOYSA-N
XLogP5.40
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile?
The IUPAC name of 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile (CID 11197466) is 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile.
What is the SMILES notation for 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile?
The canonical SMILES for 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile is N#Cc1ccc2ccccc2c1-c1c(C#N)ccc2ccccc12.
What is the InChIKey of 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile?
The InChIKey is PMGUUJLDTNSROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H.
What are the key properties of 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile?
1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanonaphthalen-1-yl)naphthalene-2-carbonitrile is sourced from PubChem (CID 11197466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).