3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile

C22H14FN3 — CID 102084665

IUPAC3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c2c(c1-c1ccc(F)cc1)CCc1ccccc1-2
InChIInChI=1S/C22H14FN3/c23-15-8-5-14(6-9-15)20-17-10-7-13-3-1-2-4-16(13)21(17)19(12-25)22(26)18(20)11-24/h1-6,8-9H,7,10,26H2
InChIKeyMFRMHGPDRPVMRS-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.58
Rot. Bonds1

About 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile

3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile (PubChem CID 102084665) has the molecular formula C22H14FN3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
PubChem CID102084665
Molecular FormulaC22H14FN3
Molecular Weight339.37 g/mol
Exact Mass339.12
IUPAC Name3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c2c(c1-c1ccc(F)cc1)CCc1ccccc1-2
InChIInChI=1S/C22H14FN3/c23-15-8-5-14(6-9-15)20-17-10-7-13-3-1-2-4-16(13)21(17)19(12-25)22(26)18(20)11-24/h1-6,8-9H,7,10,26H2
InChIKeyMFRMHGPDRPVMRS-UHFFFAOYSA-N
XLogP4.58
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-nitro-1-phenyl-9,10-dihydrophenanthrene-4-carbonitrile
CID 14143889
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
3-oxo-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
CID 2737979
3-hydroxy-1-phenanthren-2-yl-9,10-dihydrophenanthrene-4-carbonitrile
CID 101362889
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
6-amino-8-phenyl-3,4-dihydro-1H-isothiochromene-5,7-dicarbonitrile
CID 132544332
9-amino-2-bromo-7-[4-(trifluoromethyl)phenyl]-6H-benzo[c]chromene-8,10-dicarbonitrile
CID 177491779
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
2-amino-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 27209471
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 10137889
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile (CID 102084665) is 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile is N#Cc1c(N)c(C#N)c2c(c1-c1ccc(F)cc1)CCc1ccccc1-2.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile?
The InChIKey is MFRMHGPDRPVMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3/c23-15-8-5-14(6-9-15)20-17-10-7-13-3-1-2-4-16(13)21(17)19(12-25)22(26)18(20)11-24/h1-6,8-9H,7,10,26H2.
What are the key properties of 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile?
3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile has a molecular weight of 339.37 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile is sourced from PubChem (CID 102084665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).