10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C18H11FN6 — CID 939400

IUPAC10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1
InChIInChI=1S/C18H11FN6/c19-13-6-8-14(9-7-13)25-17-15(10-21-25)18-23-22-16(24(18)11-20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyBQVOTNABEBJAJR-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.27
Rot. Bonds2

About 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 939400) has the molecular formula C18H11FN6 and a molecular weight of 330.33 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID939400
Molecular FormulaC18H11FN6
Molecular Weight330.33 g/mol
Exact Mass330.10
IUPAC Name10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1
InChIInChI=1S/C18H11FN6/c19-13-6-8-14(9-7-13)25-17-15(10-21-25)18-23-22-16(24(18)11-20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyBQVOTNABEBJAJR-UHFFFAOYSA-N
XLogP3.27
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 939400) is 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Fc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1.
What is the InChIKey of 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is BQVOTNABEBJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6/c19-13-6-8-14(9-7-13)25-17-15(10-21-25)18-23-22-16(24(18)11-20-17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 330.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 939400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).