2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile

C20H14N2 — CID 54172990

IUPAC2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile
SMILESN#CCc1cc2cc(-c3cccc4ccccc34)ccc2[nH]1
InChIInChI=1S/C20H14N2/c21-11-10-17-13-16-12-15(8-9-20(16)22-17)19-7-3-5-14-4-1-2-6-18(14)19/h1-9,12-13,22H,10H2
InChIKeyOWICDIOVFCFYHL-UHFFFAOYSA-N
MW282.35 g/mol
LogP5.05
Rot. Bonds2

About 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile

2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile (PubChem CID 54172990) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile
PubChem CID54172990
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile
SMILESN#CCc1cc2cc(-c3cccc4ccccc34)ccc2[nH]1
InChIInChI=1S/C20H14N2/c21-11-10-17-13-16-12-15(8-9-20(16)22-17)19-7-3-5-14-4-1-2-6-18(14)19/h1-9,12-13,22H,10H2
InChIKeyOWICDIOVFCFYHL-UHFFFAOYSA-N
XLogP5.05
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
2-naphthalen-1-ylanthracene
CID 2748705
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
6-naphthalen-1-yl-1H-indole
CID 19779684
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
21-(6-naphthalen-1-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59629471

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile?
The IUPAC name of 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile (CID 54172990) is 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile is N#CCc1cc2cc(-c3cccc4ccccc34)ccc2[nH]1.
What is the InChIKey of 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile?
The InChIKey is OWICDIOVFCFYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c21-11-10-17-13-16-12-15(8-9-20(16)22-17)19-7-3-5-14-4-1-2-6-18(14)19/h1-9,12-13,22H,10H2.
What are the key properties of 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile?
2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile has a molecular weight of 282.35 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile is sourced from PubChem (CID 54172990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).