2-(3-methylphenyl)naphthalene-1-carbonitrile

C18H13N — CID 71514383

IUPAC2-(3-methylphenyl)naphthalene-1-carbonitrile
SMILESCc1cccc(-c2ccc3ccccc3c2C#N)c1
InChIInChI=1S/C18H13N/c1-13-5-4-7-15(11-13)17-10-9-14-6-2-3-8-16(14)18(17)12-19/h2-11H,1H3
InChIKeyDVUXBJUHYRYSMG-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.69
Rot. Bonds1

About 2-(3-methylphenyl)naphthalene-1-carbonitrile

2-(3-methylphenyl)naphthalene-1-carbonitrile (PubChem CID 71514383) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methylphenyl)naphthalene-1-carbonitrile
PubChem CID71514383
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name2-(3-methylphenyl)naphthalene-1-carbonitrile
SMILESCc1cccc(-c2ccc3ccccc3c2C#N)c1
InChIInChI=1S/C18H13N/c1-13-5-4-7-15(11-13)17-10-9-14-6-2-3-8-16(14)18(17)12-19/h2-11H,1H3
InChIKeyDVUXBJUHYRYSMG-UHFFFAOYSA-N
XLogP4.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514389
10-(3-methylphenyl)anthracene-9-carbonitrile
CID 170561667
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
2-(6-bromo-2,3-dimethyl-4-phenylphenyl)naphthalene-1-carbonitrile
CID 175005896
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
CID 146353730
3-(3-methylphenyl)fluoranthene
CID 123478210
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)naphthalene-1-carbonitrile?
The IUPAC name of 2-(3-methylphenyl)naphthalene-1-carbonitrile (CID 71514383) is 2-(3-methylphenyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 2-(3-methylphenyl)naphthalene-1-carbonitrile?
The canonical SMILES for 2-(3-methylphenyl)naphthalene-1-carbonitrile is Cc1cccc(-c2ccc3ccccc3c2C#N)c1.
What is the InChIKey of 2-(3-methylphenyl)naphthalene-1-carbonitrile?
The InChIKey is DVUXBJUHYRYSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-13-5-4-7-15(11-13)17-10-9-14-6-2-3-8-16(14)18(17)12-19/h2-11H,1H3.
What are the key properties of 2-(3-methylphenyl)naphthalene-1-carbonitrile?
2-(3-methylphenyl)naphthalene-1-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 71514383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).