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

C20H12FN3 — CID 12601373

IUPAC2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C20H12FN3/c21-15-8-6-14(7-9-15)17-10-16(13-4-2-1-3-5-13)18(11-22)20(24)19(17)12-23/h1-10H,24H2
InChIKeyBZWCQHXMRBZZJN-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.49
Rot. Bonds2

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

2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile (PubChem CID 12601373) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
PubChem CID12601373
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C20H12FN3/c21-15-8-6-14(7-9-15)17-10-16(13-4-2-1-3-5-13)18(11-22)20(24)19(17)12-23/h1-10H,24H2
InChIKeyBZWCQHXMRBZZJN-UHFFFAOYSA-N
XLogP4.49
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-amino-3-formyl-4,6-diphenylbenzonitrile
CID 101458211
2,3-diamino-6-phenylbenzonitrile
CID 59218657
2-amino-4-(4-chlorophenyl)-6-[5-(2-fluorophenyl)furan-2-yl]benzene-1,3-dicarbonitrile
CID 5161144
4-(4-fluorophenyl)-1-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 175962931
2-amino-4-anthracen-9-yl-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
CID 3121095
4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
CID 139035866
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
CID 102084665
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile (CID 12601373) is 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is BZWCQHXMRBZZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-15-8-6-14(7-9-15)17-10-16(13-4-2-1-3-5-13)18(11-22)20(24)19(17)12-23/h1-10H,24H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile?
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 313.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 12601373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).