4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile

C24H20N2 — CID 23583478

IUPAC4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile
SMILESCCc1c(-c2ccc3ccccc3c2)[nH]c(C)c1-c1ccc(C#N)cc1
InChIInChI=1S/C24H20N2/c1-3-22-23(19-10-8-17(15-25)9-11-19)16(2)26-24(22)21-13-12-18-6-4-5-7-20(18)14-21/h4-14,26H,3H2,1-2H3
InChIKeyMTBDSDFGAWLKMA-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.24
Rot. Bonds3

About 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile

4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile (PubChem CID 23583478) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile
PubChem CID23583478
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile
SMILESCCc1c(-c2ccc3ccccc3c2)[nH]c(C)c1-c1ccc(C#N)cc1
InChIInChI=1S/C24H20N2/c1-3-22-23(19-10-8-17(15-25)9-11-19)16(2)26-24(22)21-13-12-18-6-4-5-7-20(18)14-21/h4-14,26H,3H2,1-2H3
InChIKeyMTBDSDFGAWLKMA-UHFFFAOYSA-N
XLogP6.24
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
5-ethyl-6-methyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476936
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
4-[1-(4-cyanophenyl)-3-methylnaphthalen-2-yl]benzonitrile
CID 122383144
4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
CID 62705557
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
4-(4-cyano-N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anilino)benzonitrile
CID 90336292
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
4-[6-(N-naphthalen-2-ylanilino)-10-phenyl-2-(N-phenylanilino)anthracen-9-yl]benzonitrile
CID 89061094
3-ethyl-2-methyl-1H-indole-6-carbonitrile
CID 143660635

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile?
The IUPAC name of 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile (CID 23583478) is 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile.
What is the SMILES notation for 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile?
The canonical SMILES for 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile is CCc1c(-c2ccc3ccccc3c2)[nH]c(C)c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile?
The InChIKey is MTBDSDFGAWLKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-3-22-23(19-10-8-17(15-25)9-11-19)16(2)26-24(22)21-13-12-18-6-4-5-7-20(18)14-21/h4-14,26H,3H2,1-2H3.
What are the key properties of 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile?
4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile has a molecular weight of 336.44 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile is sourced from PubChem (CID 23583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).