9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile

C21H10FN3O2 — CID 142432585

IUPAC9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(=O)c1c(n2-c2ccc(F)cc2)-c2cccn2C1=O
InChIInChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)25-16-8-3-12(11-23)10-15(16)20(26)18-19(25)17-2-1-9-24(17)21(18)27/h1-10H
InChIKeyVOMIIHVWOLEPPM-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.47
Rot. Bonds1

About 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile

9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile (PubChem CID 142432585) has the molecular formula C21H10FN3O2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile.

Molecular Properties

Compound Name9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
PubChem CID142432585
Molecular FormulaC21H10FN3O2
Molecular Weight355.33 g/mol
Exact Mass355.08
IUPAC Name9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(=O)c1c(n2-c2ccc(F)cc2)-c2cccn2C1=O
InChIInChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)25-16-8-3-12(11-23)10-15(16)20(26)18-19(25)17-2-1-9-24(17)21(18)27/h1-10H
InChIKeyVOMIIHVWOLEPPM-UHFFFAOYSA-N
XLogP3.47
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile with MolForge

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Related Compounds

5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762214
2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 142432599
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762283
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 147714772
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis[4-(4-fluorophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-10-[4-(4-cyanophenyl)phenyl]-9-[4-(4-isocyanophenyl)phenyl]anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 159382182
4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
CID 102287988
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
2-(4-chlorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762154
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The IUPAC name of 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile (CID 142432585) is 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile.
What is the SMILES notation for 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The canonical SMILES for 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile is N#Cc1ccc2c(c1)c(=O)c1c(n2-c2ccc(F)cc2)-c2cccn2C1=O.
What is the InChIKey of 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
The InChIKey is VOMIIHVWOLEPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)25-16-8-3-12(11-23)10-15(16)20(26)18-19(25)17-2-1-9-24(17)21(18)27/h1-10H.
What are the key properties of 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile?
9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile has a molecular weight of 355.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile is sourced from PubChem (CID 142432585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).