16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C19H12FN3 — CID 164669903

IUPAC16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESFc1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1
InChIInChI=1S/C19H12FN3/c20-13-8-10-14(11-9-13)23-16-6-2-1-5-15(16)18-19(23)22-12-4-3-7-17(22)21-18/h1-12H
InChIKeyUWGVYLGXNONLEN-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.57
Rot. Bonds1

About 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 164669903) has the molecular formula C19H12FN3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID164669903
Molecular FormulaC19H12FN3
Molecular Weight301.32 g/mol
Exact Mass301.10
IUPAC Name16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESFc1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1
InChIInChI=1S/C19H12FN3/c20-13-8-10-14(11-9-13)23-16-6-2-1-5-15(16)18-19(23)22-12-4-3-7-17(22)21-18/h1-12H
InChIKeyUWGVYLGXNONLEN-UHFFFAOYSA-N
XLogP4.57
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 164669903) is 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is Fc1ccc(-n2c3ccccc3c3nc4ccccn4c32)cc1.
What is the InChIKey of 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is UWGVYLGXNONLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3/c20-13-8-10-14(11-9-13)23-16-6-2-1-5-15(16)18-19(23)22-12-4-3-7-17(22)21-18/h1-12H.
What are the key properties of 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 301.32 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-fluorophenyl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 164669903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).