2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile

C18H11N3O — CID 625239

IUPAC2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C18H11N3O/c19-10-15-13(12-5-2-1-3-6-12)9-14(16(11-20)18(15)21)17-7-4-8-22-17/h1-9H,21H2
InChIKeySLQVQKSDEBBOSA-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.94
Rot. Bonds2

About 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile

2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile (PubChem CID 625239) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile
PubChem CID625239
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N
InChIInChI=1S/C18H11N3O/c19-10-15-13(12-5-2-1-3-6-12)9-14(16(11-20)18(15)21)17-7-4-8-22-17/h1-9H,21H2
InChIKeySLQVQKSDEBBOSA-UHFFFAOYSA-N
XLogP3.94
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,5-diphenyl-3-furonitrile
CID 389699
4-[(4-Amino-3,5-dimethylphenyl)(2-furyl)methyl]-2,6-dimethylaniline
CID 2841012
3-(2-Furyl)Aniline
CID 4161309
2-Methyl-5-(5-methylfuran-2-yl)aniline
CID 61317392
7-Amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
CID 848968
3-Amino-4'-bromo-5-(2-furyl)-2,4-biphenyldicarbonitrile
CID 1109274
3-amino-1-(furan-2-yl)-9H-fluorene-2,4-dicarbonitrile
CID 2807450
2-Amino-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 2205994
3-Amino-5-(furan-2-yl)-4-nitro[1,1'-biphenyl]-2-carbonitrile
CID 53486539
2-Amino-4-(2-furyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 869694
2-(2-Aminobenzyl)furan
CID 23510861
2,2'-Bis(furyl)benzidine
CID 85729243

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile (CID 625239) is 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is SLQVQKSDEBBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c19-10-15-13(12-5-2-1-3-6-12)9-14(16(11-20)18(15)21)17-7-4-8-22-17/h1-9H,21H2.
What are the key properties of 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile?
2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 285.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 625239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).