11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

C20H12FN5O — CID 30466268

IUPAC11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESO=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C20H12FN5O/c21-14-6-8-15(9-7-14)25-11-10-16-17(19(25)27)18(13-4-2-1-3-5-13)26-20(24-16)22-12-23-26/h1-12H
InChIKeyJZPJFHUFXCMNEW-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.23
Rot. Bonds2

About 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one

11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (PubChem CID 30466268) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.

Molecular Properties

Compound Name11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
PubChem CID30466268
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
SMILESO=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc(F)cc1
InChIInChI=1S/C20H12FN5O/c21-14-6-8-15(9-7-14)25-11-10-16-17(19(25)27)18(13-4-2-1-3-5-13)26-20(24-16)22-12-23-26/h1-12H
InChIKeyJZPJFHUFXCMNEW-UHFFFAOYSA-N
XLogP3.23
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The IUPAC name of 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one (CID 30466268) is 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one.
What is the SMILES notation for 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The canonical SMILES for 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc(F)cc1.
What is the InChIKey of 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
The InChIKey is JZPJFHUFXCMNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c21-14-6-8-15(9-7-14)25-11-10-16-17(19(25)27)18(13-4-2-1-3-5-13)26-20(24-16)22-12-23-26/h1-12H.
What are the key properties of 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one?
11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one has a molecular weight of 357.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one is sourced from PubChem (CID 30466268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).