4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene

C28H21FN2 — CID 145125597

IUPAC4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene
SMILESC=CC.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(F)c1
InChIInChI=1S/C25H15FN2.C3H6/c26-23-14-17(16-27)12-13-20(23)18-6-5-7-19(15-18)28-24-10-3-1-8-21(24)22-9-2-4-11-25(22)28;1-3-2/h1-15H;3H,1H2,2H3
InChIKeyQKEFSPQUBQLHNV-UHFFFAOYSA-N
MW404.49 g/mol
LogP7.65
Rot. Bonds2

About 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene

4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene (PubChem CID 145125597) has the molecular formula C28H21FN2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene
PubChem CID145125597
Molecular FormulaC28H21FN2
Molecular Weight404.49 g/mol
Exact Mass404.17
IUPAC Name4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene
SMILESC=CC.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(F)c1
InChIInChI=1S/C25H15FN2.C3H6/c26-23-14-17(16-27)12-13-20(23)18-6-5-7-19(15-18)28-24-10-3-1-8-21(24)22-9-2-4-11-25(22)28;1-3-2/h1-15H;3H,1H2,2H3
InChIKeyQKEFSPQUBQLHNV-UHFFFAOYSA-N
XLogP7.65
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene 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

9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
CID 167336438
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
4-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164743981
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-1-carbonitrile
CID 155080711
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene (CID 145125597) is 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene is C=CC.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(F)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene?
The InChIKey is QKEFSPQUBQLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2.C3H6/c26-23-14-17(16-27)12-13-20(23)18-6-5-7-19(15-18)28-24-10-3-1-8-21(24)22-9-2-4-11-25(22)28;1-3-2/h1-15H;3H,1H2,2H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene?
4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene has a molecular weight of 404.49 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-3-fluorobenzonitrile;prop-1-ene is sourced from PubChem (CID 145125597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).